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 |