4-[(4-bromophenyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-5400 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)-3-nitrobenzamide |
| Molecular Weight: | 463.39 |
| Molecular Formula: | C21 H23 Br N2 O3 S |
| Smiles: | CC1CCCC(C1C)NC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2987 |
| logD: | 6.2987 |
| logSw: | -5.4405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.576 |
| InChI Key: | WQLITHVRGHSKCO-UHFFFAOYSA-N |