AC1MFXX5
methyl 2-[[2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-[[2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetyl]amino]benzoate|methyl 2-(2-((4-(4-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamido)benzoate|methyl 2-[({[4-(4-chlorophenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetyl)amino]benzoate|methyl 2-[({[4-(4-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C22H18ClN3O4S |
|---|---|
| Molecular Weight | 455.07065 g/mol |
| LogP | 3.83718 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.07065 |
| Monoisotopic Mass | 455.07065 |
| Heavy Atoms | 31 |
| Complexity | 1092.68 |
Chemical Identifiers
| CAS Number | 577697-13-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)Cl)C#N |
Product Overview
AC1MFXX5 (CAS 577697-13-3), with molecular formula C22H18ClN3O4S and molecular weight 455.07065 g/mol. IUPAC: methyl 2-[[2-[[4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetyl]amino]benzoate.