4-[(4-bromophenyl)sulfanyl]-N-butyl-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-butyl-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-butyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2387 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-butyl-3-nitrobenzamide |
| Molecular Weight: | 409.3 |
| Molecular Formula: | C17 H17 Br N2 O3 S |
| Smiles: | CCCCNC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6861 |
| logD: | 5.6861 |
| logSw: | -5.3306 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.574 |
| InChI Key: | SJNZRNURYCOKEB-UHFFFAOYSA-N |