3-(4-hydroxy-3-methoxy-2-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(4-hydroxy-3-methoxy-2-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(4-hydroxy-3-methoxy-2-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2039-0639 |
| Compound Name: | 3-(4-hydroxy-3-methoxy-2-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 350.33 |
| Molecular Formula: | C18 H14 N4 O4 |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1ccc(c(c1[N+]([O-])=O)OC)O)C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.6916 |
| logD: | 3.51 |
| logSw: | -3.8908 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.359 |
| InChI Key: | ORFYVUMIWFXGBL-XYOKQWHBSA-N |