AC1MSX5O
methyl 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 6-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate|methyl 6-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C23H18ClN3O6S |
|---|---|
| Molecular Weight | 499.0605 g/mol |
| LogP | 3.17838 |
| Topological Polar Surface Area | 126.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.0605 |
| Monoisotopic Mass | 499.0605 |
| Heavy Atoms | 34 |
| Complexity | 1224.2015 |
Chemical Identifiers
| CAS Number | 369398-31-2 |
|---|---|
| SMILES | COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC3=C(C=C2)OCO3)C#N)C4=CC=C(C=C4)Cl |
Product Overview
AC1MSX5O (CAS 369398-31-2), with molecular formula C23H18ClN3O6S and molecular weight 499.0605 g/mol. IUPAC: methyl 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
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