AV18484
1445951-11-0 | tert-Butyl ((2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AV18484
ChemicalName
tert-Butyl ((2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate
CasNumber
1445951-11-0
MolecularFormula
C12H19N3O3
MolecularWeight
253.2976
MdlNumber
MFCD25509366
Smiles
O=C(OC(C)(C)C)NCC1OCCc2c1n[nH]c2
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AV18484
ChemicalName: tert-Butyl ((2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate
CasNumber: 1445951-11-0
MolecularFormula: C12H19N3O3
MolecularWeight: 253.2976
MdlNumber: MFCD25509366
Smiles: O=C(OC(C)(C)C)NCC1OCCc2c1n[nH]c2
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AV18484
ChemicalName:
tert-Butyl ((2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate
CasNumber:
1445951-11-0
MolecularFormula:
C12H19N3O3
MolecularWeight:
253.2976
MdlNumber:
MFCD25509366
Smiles:
O=C(OC(C)(C)C)NCC1OCCc2c1n[nH]c2
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: AV18485
ChemicalName: Dibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide
CasNumber: 63113-45-1
MolecularFormula: C13H9NO3S
MolecularWeight: 259.2805
MdlNumber: MFCD28992014
Smiles: O=C1c2ccccc2NS(=O)(=O)c2c1cccc2
Complexity: 440
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2
CatalogNumber:
AV18485
ChemicalName:
Dibenzo[c,f][1,2]thiazepin-11(6H)-one 5,5-dioxide
CasNumber:
63113-45-1
MolecularFormula:
C13H9NO3S
MolecularWeight:
259.2805
MdlNumber:
MFCD28992014
Smiles:
O=C1c2ccccc2NS(=O)(=O)c2c1cccc2
Complexity:
440
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)n1ccc2c1ccc(c2)C(=O)O
Complexity: 341
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)n1ccc2c1ccc(c2)C(=O)O
Complexity:
341
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CC=Cc1ccccc1Br
Complexity: 154
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CC=Cc1ccccc1Br
Complexity:
154
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5