3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2367-1322 |
| Compound Name: | 3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C20 H18 Br N3 O2 |
| Smiles: | CCOc1c(cc(/C=C(C#N)/c2nc3cc(C)ccc3[nH]2)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 5.0908 |
| logD: | 5.0904 |
| logSw: | -4.8841 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.241 |
| InChI Key: | QVMIPAQRYNZIEY-UHFFFAOYSA-N |