AG81339
58816-69-6 | (S)-Ethyl 2-benzamido-3-(4-nitrophenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AG81339
ChemicalName
(S)-Ethyl 2-benzamido-3-(4-nitrophenyl)propanoate
CasNumber
58816-69-6
MolecularFormula
C18H18N2O5
MolecularWeight
342.3459
MdlNumber
MFCD19690954
Smiles
CCOC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)c1ccccc1
Complexity
463
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
3.3
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CatalogNumber: AG81339
ChemicalName: (S)-Ethyl 2-benzamido-3-(4-nitrophenyl)propanoate
CasNumber: 58816-69-6
MolecularFormula: C18H18N2O5
MolecularWeight: 342.3459
MdlNumber: MFCD19690954
Smiles: CCOC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)c1ccccc1
Complexity: 463
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 3.3
CatalogNumber:
AG81339
ChemicalName:
(S)-Ethyl 2-benzamido-3-(4-nitrophenyl)propanoate
CasNumber:
58816-69-6
MolecularFormula:
C18H18N2O5
MolecularWeight:
342.3459
MdlNumber:
MFCD19690954
Smiles:
CCOC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)c1ccccc1
Complexity:
463
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
3.3
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Smiles: CCn1c(nc2c1c(cnc2)C(=O)N1CC[C@@H](C1)N)c1nonc1N.Cl.Cl
Complexity: __
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Smiles:
CCn1c(nc2c1c(cnc2)C(=O)N1CC[C@@H](C1)N)c1nonc1N.Cl.Cl
Complexity:
__
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Smiles: COc1c2OCOc2cc2c1-c1c(C[C@@H]([C@]([C@H]2OC(=O)c2ccccc2)(C)O)C)cc2c(c1OC)OCO2
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Smiles:
COc1c2OCOc2cc2c1-c1c(C[C@@H]([C@]([C@H]2OC(=O)c2ccccc2)(C)O)C)cc2c(c1OC)OCO2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: O=C(Nc1cccc2c1ccnc2)NCc1ccc(cc1)C(F)(F)F
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(Nc1cccc2c1ccnc2)NCc1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__