ChemDiv1_009434
prop-2-enyl 5-cyano-6-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_009434|Oprea1_648293|HMS613M18|SR-01000484507-1|allyl 5-cyano-6-((2-((2,3-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate|PROP-2-EN-1-YL 5-CYANO-6-({[(2,3-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(FURAN-2-YL)-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE|prop-2-en-1-yl 5-cyano-6-({2-[(2,3-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate|prop-2-enyl 5-cyano-6-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C25H25N3O4S |
|---|---|
| Molecular Weight | 463.1566 g/mol |
| LogP | 4.69352 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.1566 |
| Monoisotopic Mass | 463.1566 |
| Heavy Atoms | 33 |
| Complexity | 1172.7542 |
Chemical Identifiers
| CAS Number | 384357-17-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=CO3)C#N)C |
Product Overview
ChemDiv1_009434 (CAS 384357-17-9), with molecular formula C25H25N3O4S and molecular weight 463.1566 g/mol. IUPAC: prop-2-enyl 5-cyano-6-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate.