2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 2367-1075 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile |
| Molecular Weight: | 480.4 |
| Molecular Formula: | C24 H15 F3 N4 O4 |
| Smiles: | COc1cc(/C=C(C#N)/c2nc3ccccc3[nH]2)ccc1Oc1ccc(cc1C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7959 |
| logD: | 5.795 |
| logSw: | -5.7588 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.247 |
| InChI Key: | KIFNODIHJLWCOZ-UHFFFAOYSA-N |