AI59036
88150-62-3 | Phthaloylamlodipine
Manufacturer: A2B Chem
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CatalogNumber
AI59036
ChemicalName
Phthaloylamlodipine
CasNumber
88150-62-3
MolecularFormula
C28H27ClN2O7
MolecularWeight
538.9762
MdlNumber
MFCD07782096
Smiles
CCOC(=O)C1=C(COCCN2C(=O)c3c(C2=O)cccc3)NC(=C(C1c1ccccc1Cl)C(=O)OC)C
Complexity
999
Covalently-bondedUnitCount
1
HeavyAtomCount
38
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
11
UndefinedAtomStereocenterCount
1
Xlogp3
4.6
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CatalogNumber: AI59036
ChemicalName: Phthaloylamlodipine
CasNumber: 88150-62-3
MolecularFormula: C28H27ClN2O7
MolecularWeight: 538.9762
MdlNumber: MFCD07782096
Smiles: CCOC(=O)C1=C(COCCN2C(=O)c3c(C2=O)cccc3)NC(=C(C1c1ccccc1Cl)C(=O)OC)C
Complexity: 999
Covalently-bondedUnitCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 11
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.6
CatalogNumber:
AI59036
ChemicalName:
Phthaloylamlodipine
CasNumber:
88150-62-3
MolecularFormula:
C28H27ClN2O7
MolecularWeight:
538.9762
MdlNumber:
MFCD07782096
Smiles:
CCOC(=O)C1=C(COCCN2C(=O)c3c(C2=O)cccc3)NC(=C(C1c1ccccc1Cl)C(=O)OC)C
Complexity:
999
Covalently-bondedUnitCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
11
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.6
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Smiles: CC(CCOc1ccc(cc1Br)C(=O)O)C
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Smiles:
CC(CCOc1ccc(cc1Br)C(=O)O)C
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: OC(=O)CC1CCS(=O)(=O)N1
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Smiles:
OC(=O)CC1CCS(=O)(=O)N1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: COc1cnc2c(c1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cnc2c(c1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__