4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide
Basic information
- CAS
185409-93-2- Standard SMILES
CCCSC1=C(C#N)C(c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1- InChIKey
MKZPCGDKUFTGKQ-UHFFFAOYSA-N- Molecular formula
- C23H22ClN3OS
- Average molar mass
- 424 g/mol
- Monoisotopic mass
- 423.1172112
Names & identifiers
- Preferred name
- 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide
- IUPAC
- 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide
- English name
- 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-(propylsulfanyl)-1,4-dihydro-3-pyridinecarboxamide
- Molecular formula
- C23H22ClN3OS
- Molecular weight
- 423.96
Names & synonyms
4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-(propylsulfanyl)-1,4-dihydro-3-pyridinecarboxamide4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-(propylsulfanyl)-1,4-dihydropyridine-3-carboxamideOprea1_499405Oprea1_567556STK891186AKOS000526486AKOS022088924ST50005488AE-848/33766040[4-(2-chlorophenyl)-5-cyano-2-methyl-6-propylthio(3-1,4-dihydropyridyl)]-N-ben zamide185409-93-2
Show more names
3-Pyridinecarboxamide, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-N-phenyl-6-(propylthio)-
4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-(propylthio)-1,4-dihydropyridine-3-carboxamide
Database identifiers
- CAS
185409-93-2
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 717
Physicochemical properties
- Boiling point
- 612.7 · 612.7±55.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 14.19 · 14.19±0.70(Predicted)
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Compound notes
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