3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8009-9523 |
| Compound Name: | 3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 384.23 |
| Molecular Formula: | C18 H14 Br N3 O2 |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1cc(c(cc1[Br])O)OC)C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.9441 |
| logD: | 3.9155 |
| logSw: | -3.7404 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.493 |
| InChI Key: | PNKALLUVKOKYHZ-UHFFFAOYSA-N |