benzyl ({5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl[4,4'-bipyridin]-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
benzyl ({5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl[4,4'-bipyridin]-2-yl}sulfanyl)acetate
benzyl ({5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl[4,4'-bipyridin]-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 4088-0039 |
| Compound Name: | benzyl ({5-[(4-chlorophenyl)carbamoyl]-3-cyano-6-methyl[4,4'-bipyridin]-2-yl}sulfanyl)acetate |
| Molecular Weight: | 529.02 |
| Molecular Formula: | C28 H21 Cl N4 O3 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)[Cl])=O)c(c2ccncc2)c(C#N)c(n1)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7292 |
| logD: | 5.6973 |
| logSw: | -6.0568 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.129 |
| InChI Key: | KPXHTMZYUHRSPL-UHFFFAOYSA-N |