AV18617
864076-03-9 | 4-(4-(tert-Butoxycarbonylamino)phenyl)-1-methyl-1h-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18617
ChemicalName
4-(4-(tert-Butoxycarbonylamino)phenyl)-1-methyl-1h-pyrrole-2-carboxylic acid
CasNumber
864076-03-9
MolecularFormula
C17H20N2O4
MolecularWeight
316.3517
MdlNumber
MFCD26744079
Smiles
O=C(OC(C)(C)C)Nc1ccc(cc1)c1cc(n(c1)C)C(=O)O
Complexity
438
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.7
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CatalogNumber: AV18617
ChemicalName: 4-(4-(tert-Butoxycarbonylamino)phenyl)-1-methyl-1h-pyrrole-2-carboxylic acid
CasNumber: 864076-03-9
MolecularFormula: C17H20N2O4
MolecularWeight: 316.3517
MdlNumber: MFCD26744079
Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1)c1cc(n(c1)C)C(=O)O
Complexity: 438
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AV18617
ChemicalName:
4-(4-(tert-Butoxycarbonylamino)phenyl)-1-methyl-1h-pyrrole-2-carboxylic acid
CasNumber:
864076-03-9
MolecularFormula:
C17H20N2O4
MolecularWeight:
316.3517
MdlNumber:
MFCD26744079
Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1)c1cc(n(c1)C)C(=O)O
Complexity:
438
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: AV18618
ChemicalName: Di-tert-butyl 1-(bicyclo[1.1.1]pentan-1-yl)hydrazine-1,2-dicarboxylate
CasNumber: 1326242-72-1
MolecularFormula: C15H26N2O4
MolecularWeight: 298.3779
MdlNumber: MFCD29917057
Smiles: O=C(OC(C)(C)C)NN(C12CC(C1)C2)C(=O)OC(C)(C)C
Complexity: 431
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.8
CatalogNumber:
AV18618
ChemicalName:
Di-tert-butyl 1-(bicyclo[1.1.1]pentan-1-yl)hydrazine-1,2-dicarboxylate
CasNumber:
1326242-72-1
MolecularFormula:
C15H26N2O4
MolecularWeight:
298.3779
MdlNumber:
MFCD29917057
Smiles:
O=C(OC(C)(C)C)NN(C12CC(C1)C2)C(=O)OC(C)(C)C
Complexity:
431
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC=N4)NC3=O
Complexity: 461
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC=N4)NC3=O
Complexity:
461
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AV18620
ChemicalName: 4-(3,4-Dichlorophenyl)butan-2-one
CasNumber: 42160-40-7
MolecularFormula: C10H10Cl2O
MolecularWeight: 217.0918
MdlNumber: MFCD09891026
Smiles: CC(=O)CCc1ccc(c(c1)Cl)Cl
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AV18620
ChemicalName:
4-(3,4-Dichlorophenyl)butan-2-one
CasNumber:
42160-40-7
MolecularFormula:
C10H10Cl2O
MolecularWeight:
217.0918
MdlNumber:
MFCD09891026
Smiles:
CC(=O)CCc1ccc(c(c1)Cl)Cl
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.1