3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1809-0270 |
| Compound Name: | 3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 320.31 |
| Molecular Formula: | C17 H12 N4 O3 |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1cc(ccc1O)[N+]([O-])=O)C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.7588 |
| logD: | 1.7592 |
| logSw: | -3.6954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.244 |
| InChI Key: | IXSKSSFZUGEMIY-UHFFFAOYSA-N |