benzyl ({4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
benzyl ({4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetate
benzyl ({4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 4296-0465 |
| Compound Name: | benzyl ({4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 542.06 |
| Molecular Formula: | C30 H24 Cl N3 O3 S |
| Smiles: | Cc1ccccc1NC(c1c(c2ccc(cc2)[Cl])c(C#N)c(nc1C)SCC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9713 |
| logD: | 6.9704 |
| logSw: | -6.3845 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.003 |
| InChI Key: | GHJAWFZETNKUOF-UHFFFAOYSA-N |