AC1MYK7J
prop-2-enyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: Oprea1_012952|Oprea1_849688|SR-01000484802-1|allyl 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|PROP-2-EN-1-YL 6-({[(3-CHLOROPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-2-METHYL-4-(THIOPHEN-2-YL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE|prop-2-en-1-yl 6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|prop-2-enyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H20ClN3O3S2 |
|---|---|
| Molecular Weight | 485.06348 g/mol |
| LogP | 5.19858 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.06348 |
| Monoisotopic Mass | 485.06348 |
| Heavy Atoms | 32 |
| Complexity | 1133.6055 |
Chemical Identifiers
| CAS Number | 370855-27-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CS3)C(=O)OCC=C |
Product Overview
AC1MYK7J (CAS 370855-27-9), with molecular formula C23H20ClN3O3S2 and molecular weight 485.06348 g/mol. IUPAC: prop-2-enyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
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