5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4296-0709 |
| Compound Name: | 5-cyano-6-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 463.34 |
| Molecular Formula: | C20 H16 Cl2 N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(c(c1)[Cl])[Cl])=O)c1ccco1)C(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4651 |
| logD: | 2.1754 |
| logSw: | -3.7373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.617 |
| InChI Key: | KLHANEDEWSVOGL-GOSISDBHSA-N |