4-[(4-bromophenyl)sulfanyl]-3-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-3-nitro-N-(propan-2-yl)benzamide
4-[(4-bromophenyl)sulfanyl]-3-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | K781-5406 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-3-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 395.27 |
| Molecular Formula: | C16 H15 Br N2 O3 S |
| Smiles: | CC(C)NC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0276 |
| logD: | 5.0276 |
| logSw: | -4.7326 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.707 |
| InChI Key: | AJWLWIORGIPLLL-UHFFFAOYSA-N |