benzyl {[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
benzyl {[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 0821-0439 |
| Compound Name: | benzyl {[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 528.03 |
| Molecular Formula: | C29 H22 Cl N3 O3 S |
| Smiles: | Cc1c(C(Nc2ccccc2)=O)c(c2cccc(c2)[Cl])c(C#N)c(n1)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.63 |
| logD: | 6.6295 |
| logSw: | -6.2027 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.701 |
| InChI Key: | YYWKSKISMHWPJJ-UHFFFAOYSA-N |