AW54724
99754-06-0 | 4-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AW54724
ChemicalName
4-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic acid
CasNumber
99754-06-0
MolecularFormula
C21H22ClNO3
MolecularWeight
371.8573
MdlNumber
MFCD00210755
Smiles
CCCCCc1ccc(cc1)/C=C/C(=O)Nc1cc(Cl)ccc1C(=O)O
Complexity
486
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
6.3
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CatalogNumber: AW54724
ChemicalName: 4-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic acid
CasNumber: 99754-06-0
MolecularFormula: C21H22ClNO3
MolecularWeight: 371.8573
MdlNumber: MFCD00210755
Smiles: CCCCCc1ccc(cc1)/C=C/C(=O)Nc1cc(Cl)ccc1C(=O)O
Complexity: 486
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 6.3
CatalogNumber:
AW54724
ChemicalName:
4-Chloro-2-(3-(4-pentylphenyl)acrylamido)benzoic acid
CasNumber:
99754-06-0
MolecularFormula:
C21H22ClNO3
MolecularWeight:
371.8573
MdlNumber:
MFCD00210755
Smiles:
CCCCCc1ccc(cc1)/C=C/C(=O)Nc1cc(Cl)ccc1C(=O)O
Complexity:
486
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
6.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2c([2H])c([2H])c(c(c2[2H])[2H])[2H])C(=O)Nc2ccccc2)OC(=O)C1
Complexity: __
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Smiles:
O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2c([2H])c([2H])c(c(c2[2H])[2H])[2H])C(=O)Nc2ccccc2)OC(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OCCN1CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2
Complexity: __
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Smiles:
OCCN1CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: ICCCCOc1ccc2c(c1)NC(=O)CC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
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Smiles:
ICCCCOc1ccc2c(c1)NC(=O)CC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__