AC1MRZIJ
methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: Oprea1_487730|methyl 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|METHYL 6-({[(3-CHLOROPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-4-(4-METHOXYPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE|methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C23H20ClN3O5S |
|---|---|
| Molecular Weight | 485.0812 g/mol |
| LogP | 3.45828 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.0812 |
| Monoisotopic Mass | 485.0812 |
| Heavy Atoms | 33 |
| Complexity | 1143.531 |
Chemical Identifiers
| CAS Number | 684237-90-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)Cl)C(=O)OC |
Product Overview
AC1MRZIJ (CAS 684237-90-9), with molecular formula C23H20ClN3O5S and molecular weight 485.0812 g/mol. IUPAC: methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.