2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-0091 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 419.07 |
| Molecular Formula: | C16 H9 Br2 N3 O |
| Smiles: | C(=C(C#N)/c1nc2ccccc2[nH]1)\c1cc(c(c(c1)[Br])O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3567 |
| logD: | 3.9366 |
| logSw: | -4.4834 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.793 |
| InChI Key: | CYFOQAYXQVBMFV-UHFFFAOYSA-N |