3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2038-0222 |
| Compound Name: | 3-{4-methoxy-3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 494.43 |
| Molecular Formula: | C25 H17 F3 N4 O4 |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1ccc(c(c1)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F)OC)C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 6.1959 |
| logD: | 6.1955 |
| logSw: | -5.7491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.946 |
| InChI Key: | XARWCCSQQFEXSE-UHFFFAOYSA-N |