6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0704 |
| Compound Name: | 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(c1C)[Cl])=O)c1ccco1)C(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7982 |
| logD: | 1.5084 |
| logSw: | -3.417 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.919 |
| InChI Key: | NAOXAWBNISLERJ-LJQANCHMSA-N |