2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxy-2-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxy-2-nitrophenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxy-2-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8008-9117 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3-methoxy-2-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 336.3 |
| Molecular Formula: | C17 H12 N4 O4 |
| Smiles: | COc1c(ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)c1[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.2319 |
| logD: | 3.0503 |
| logSw: | -3.3769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.359 |
| InChI Key: | XGWZHVFLPYFERU-UHFFFAOYSA-N |