2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-0101 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 370.2 |
| Molecular Formula: | C17 H12 Br N3 O2 |
| Smiles: | COc1cc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6129 |
| logD: | 3.5352 |
| logSw: | -3.7745 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.424 |
| InChI Key: | MAOGELZZCARYJW-UHFFFAOYSA-N |