2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3615-0303 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-2,4-dimethoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 463.13 |
| Molecular Formula: | C18 H13 Br2 N3 O2 |
| Smiles: | COc1c(/C=C(C#N)/c2nc3ccccc3[nH]2)cc(c(c1[Br])OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0295 |
| logD: | 5.0286 |
| logSw: | -4.8032 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.748 |
| InChI Key: | LKVVBCQMZLRHIS-UHFFFAOYSA-N |