2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-benzimidazole
Chemical Structure Depiction of
2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-benzimidazole
2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | 8009-4813 |
| Compound Name: | 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-benzimidazole |
| Molecular Weight: | 384.29 |
| Molecular Formula: | C14 H7 F3 N4 O4 S |
| Smiles: | c1ccc2c(c1)nc([nH]2)Sc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8985 |
| logD: | 3.7979 |
| logSw: | -4.3599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.141 |
| InChI Key: | ZIISHDXIYUOENN-UHFFFAOYSA-N |