4-[(3-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide
4-[(3-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2213 |
| Compound Name: | 4-[(3-chlorophenyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C21 H17 Cl N2 O4 S |
| Smiles: | COc1ccccc1CNC(c1ccc(c(c1)[N+]([O-])=O)Sc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6849 |
| logD: | 5.6847 |
| logSw: | -5.8345 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.091 |
| InChI Key: | KKKGUBHBQFSAJS-UHFFFAOYSA-N |