2-(benzylsulfanyl)-N-(4-bromophenyl)-4,6-dinitrobenzamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(4-bromophenyl)-4,6-dinitrobenzamide
2-(benzylsulfanyl)-N-(4-bromophenyl)-4,6-dinitrobenzamide
Compound characteristics
| Compound ID: | 8009-7200 |
| Compound Name: | 2-(benzylsulfanyl)-N-(4-bromophenyl)-4,6-dinitrobenzamide |
| Molecular Weight: | 488.31 |
| Molecular Formula: | C20 H14 Br N3 O5 S |
| Smiles: | C(c1ccccc1)Sc1cc(cc(c1C(Nc1ccc(cc1)[Br])=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4334 |
| logD: | 4.6947 |
| logSw: | -5.7292 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.52 |
| InChI Key: | BVOKBVRVWIUXBI-UHFFFAOYSA-N |