AC70128
72509-76-3 | 3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC70128
ChemicalName
3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CasNumber
72509-76-3
MolecularFormula
C18H19Cl2NO4
MolecularWeight
384.2538
MdlNumber
MFCD00868316
Smiles
CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C
NscNumber
760343
Complexity
614
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
3.9
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CatalogNumber: AC70128
ChemicalName: 3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CasNumber: 72509-76-3
MolecularFormula: C18H19Cl2NO4
MolecularWeight: 384.2538
MdlNumber: MFCD00868316
Smiles: CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C
NscNumber: 760343
Complexity: 614
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.9
CatalogNumber:
AC70128
ChemicalName:
3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CasNumber:
72509-76-3
MolecularFormula:
C18H19Cl2NO4
MolecularWeight:
384.2538
MdlNumber:
MFCD00868316
Smiles:
CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C
NscNumber:
760343
Complexity:
614
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.9
CatalogNumber: AC70133
ChemicalName: 4-Methylnicotinamide
CasNumber: 7250-52-4
MolecularFormula: C7H8N2O
MolecularWeight: 136.1512
MdlNumber: MFCD00234322
Smiles: NC(=O)c1cnccc1C
NscNumber: 30041
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.1
CatalogNumber:
AC70133
ChemicalName:
4-Methylnicotinamide
CasNumber:
7250-52-4
MolecularFormula:
C7H8N2O
MolecularWeight:
136.1512
MdlNumber:
MFCD00234322
Smiles:
NC(=O)c1cnccc1C
NscNumber:
30041
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.1
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Nc1c[nH]c2c1cccc2
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Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
Nc1c[nH]c2c1cccc2
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(c1ccc(cc1)O)NC(=O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(c1ccc(cc1)O)NC(=O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__