4-[(2-chlorophenyl)sulfanyl]-N-(2,4-dimethylphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-chlorophenyl)sulfanyl]-N-(2,4-dimethylphenyl)-3-nitrobenzamide
4-[(2-chlorophenyl)sulfanyl]-N-(2,4-dimethylphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K784-1456 |
| Compound Name: | 4-[(2-chlorophenyl)sulfanyl]-N-(2,4-dimethylphenyl)-3-nitrobenzamide |
| Molecular Weight: | 412.89 |
| Molecular Formula: | C21 H17 Cl N2 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3608 |
| logD: | 6.3591 |
| logSw: | -6.1207 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.441 |
| InChI Key: | ZSMYWVFCKGOPAU-UHFFFAOYSA-N |