benzyl {[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
benzyl {[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8009-1280 |
| Compound Name: | benzyl {[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 530.04 |
| Molecular Formula: | C29 H24 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(=O)OCc1ccccc1)c1ccccc1[Cl])C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0158 |
| logD: | 5.4281 |
| logSw: | -5.9325 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.456 |
| InChI Key: | JGQAIMBEPZULNX-HHHXNRCGSA-N |