2-(1H-benzimidazol-2-yl)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 8008-8982 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}prop-2-enenitrile |
| Molecular Weight: | 450.38 |
| Molecular Formula: | C23 H13 F3 N4 O3 |
| Smiles: | C(=C(C#N)/c1nc2ccccc2[nH]1)\c1cccc(c1)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4408 |
| logD: | 5.44 |
| logSw: | -6.1104 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.229 |
| InChI Key: | CXKBXCNCIVQMQQ-UHFFFAOYSA-N |