2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-0093 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 433.1 |
| Molecular Formula: | C17 H11 Br2 N3 O |
| Smiles: | COc1c(/C=C(C#N)/c2nc3ccccc3[nH]2)cc(cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1807 |
| logD: | 5.1799 |
| logSw: | -5.2079 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.031 |
| InChI Key: | YZIFVTZLIBILFF-UHFFFAOYSA-N |