2-(butylsulfanyl)-4,6-dinitro-N-[3-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
2-(butylsulfanyl)-4,6-dinitro-N-[3-(trifluoromethyl)phenyl]benzamide
2-(butylsulfanyl)-4,6-dinitro-N-[3-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | 8018-6846 |
| Compound Name: | 2-(butylsulfanyl)-4,6-dinitro-N-[3-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 443.4 |
| Molecular Formula: | C18 H16 F3 N3 O5 S |
| Smiles: | CCCCSc1cc(cc(c1C(Nc1cccc(c1)C(F)(F)F)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0383 |
| logD: | 4.508 |
| logSw: | -5.5214 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.792 |
| InChI Key: | AGGQGKVHIMXSBJ-UHFFFAOYSA-N |