butyl {[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
butyl {[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
butyl {[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3329-3955 |
| Compound Name: | butyl {[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 496.03 |
| Molecular Formula: | C26 H26 Cl N3 O3 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(C(=C(C)N1)C(Nc1ccccc1)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6183 |
| logD: | 5.0307 |
| logSw: | -5.7902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.646 |
| InChI Key: | OJZDOEGINAVTIL-XMMPIXPASA-N |