4-[(2-chlorophenyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-chlorophenyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
4-[(2-chlorophenyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2381 |
| Compound Name: | 4-[(2-chlorophenyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C21 H17 Cl N2 O4 S |
| Smiles: | COc1ccc(CNC(c2ccc(c(c2)[N+]([O-])=O)Sc2ccccc2[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3282 |
| logD: | 5.3282 |
| logSw: | -5.8654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.005 |
| InChI Key: | VSVVTLIHOMXLDK-UHFFFAOYSA-N |