AE18710
1092539-44-0 | 2-Amino-1-ethyl-7-(3-hydroxy-4-methoxy-3-methyl-1-butyn-1-yl)-n-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AE18710
ChemicalName
2-Amino-1-ethyl-7-(3-hydroxy-4-methoxy-3-methyl-1-butyn-1-yl)-n-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CasNumber
1092539-44-0
MolecularFormula
C18H22N4O4
MolecularWeight
358.3917
MdlNumber
MFCD23098773
Smiles
COCC(C#Cc1ccc2c(n1)n(CC)c(c(c2=O)C(=O)NC)N)(O)C
Complexity
677
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AE18710
ChemicalName: 2-Amino-1-ethyl-7-(3-hydroxy-4-methoxy-3-methyl-1-butyn-1-yl)-n-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CasNumber: 1092539-44-0
MolecularFormula: C18H22N4O4
MolecularWeight: 358.3917
MdlNumber: MFCD23098773
Smiles: COCC(C#Cc1ccc2c(n1)n(CC)c(c(c2=O)C(=O)NC)N)(O)C
Complexity: 677
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AE18710
ChemicalName:
2-Amino-1-ethyl-7-(3-hydroxy-4-methoxy-3-methyl-1-butyn-1-yl)-n-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CasNumber:
1092539-44-0
MolecularFormula:
C18H22N4O4
MolecularWeight:
358.3917
MdlNumber:
MFCD23098773
Smiles:
COCC(C#Cc1ccc2c(n1)n(CC)c(c(c2=O)C(=O)NC)N)(O)C
Complexity:
677
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N2)[C@H](CC)C)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N2)[C@H](CC)C)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AE18712
ChemicalName: tert-Butyl ((4-hydroxycyclohexyl)methyl)carbamate
CasNumber: 1188475-96-8
MolecularFormula: C12H23NO3
MolecularWeight: 229.3159
MdlNumber: MFCD16620881
Smiles: OC1CCC(CC1)CNC(=O)OC(C)(C)C
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
AE18712
ChemicalName:
tert-Butyl ((4-hydroxycyclohexyl)methyl)carbamate
CasNumber:
1188475-96-8
MolecularFormula:
C12H23NO3
MolecularWeight:
229.3159
MdlNumber:
MFCD16620881
Smiles:
OC1CCC(CC1)CNC(=O)OC(C)(C)C
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__