2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 8009-4824 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[2-nitro-4-(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(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5854 |
| logD: | 5.5845 |
| logSw: | -5.7648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.946 |
| InChI Key: | IIMHAOSQKMHCQP-UHFFFAOYSA-N |