methyl ({4-(2-chlorophenyl)-5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({4-(2-chlorophenyl)-5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
methyl ({4-(2-chlorophenyl)-5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 4088-0223 |
| Compound Name: | methyl ({4-(2-chlorophenyl)-5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 488.39 |
| Molecular Formula: | C23 H19 Cl2 N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(=O)OC)c1ccccc1[Cl])C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9416 |
| logD: | 4.354 |
| logSw: | -4.8776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.772 |
| InChI Key: | BKLWVQHHOMYHBB-OAQYLSRUSA-N |