2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-hydroxy-3-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-hydroxy-3-nitrophenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-hydroxy-3-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-0094 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-hydroxy-3-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 385.17 |
| Molecular Formula: | C16 H9 Br N4 O3 |
| Smiles: | C(=C(C#N)/c1nc2ccccc2[nH]1)\c1cc(cc(c1O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4107 |
| logD: | 2.0863 |
| logSw: | -4.4742 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.874 |
| InChI Key: | OKEIXCLCNJQFOO-UHFFFAOYSA-N |