AB72545
120533-76-8 | Diethyl 1-benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB72545
ChemicalName
Diethyl 1-benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CasNumber
120533-76-8
MolecularFormula
C24H25NO4
MolecularWeight
391.4596
MdlNumber
MFCD20267716
Smiles
CCOC(=O)C1=CN(Cc2ccccc2)C=C(C1c1ccccc1)C(=O)OCC
Complexity
591
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
5
RotatableBondCount
9
Xlogp3
4.2
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CatalogNumber: AB72545
ChemicalName: Diethyl 1-benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CasNumber: 120533-76-8
MolecularFormula: C24H25NO4
MolecularWeight: 391.4596
MdlNumber: MFCD20267716
Smiles: CCOC(=O)C1=CN(Cc2ccccc2)C=C(C1c1ccccc1)C(=O)OCC
Complexity: 591
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 5
RotatableBondCount: 9
Xlogp3: 4.2
CatalogNumber:
AB72545
ChemicalName:
Diethyl 1-benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CasNumber:
120533-76-8
MolecularFormula:
C24H25NO4
MolecularWeight:
391.4596
MdlNumber:
MFCD20267716
Smiles:
CCOC(=O)C1=CN(Cc2ccccc2)C=C(C1c1ccccc1)C(=O)OCC
Complexity:
591
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
5
RotatableBondCount:
9
Xlogp3:
4.2
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Smiles: C1C2CC3CC1CC(C2)(C3)P(C12CC3CC(C2)CC(C1)C3)Cc1ccccc1
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Smiles:
C1C2CC3CC1CC(C2)(C3)P(C12CC3CC(C2)CC(C1)C3)Cc1ccccc1
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Smiles: O=C(c1nccs1)c1nccs1
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O=C(c1nccs1)c1nccs1
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Smiles: CC(c1ccccc1)SC(c1ccccc1)C
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Smiles:
CC(c1ccccc1)SC(c1ccccc1)C
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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