3-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2038-0077 |
| Compound Name: | 3-{3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 537.25 |
| Molecular Formula: | C25 H19 Br2 N3 O |
| Smiles: | Cc1ccc(COc2c(cc(/C=C(C#N)/c3nc4cc(C)ccc4[nH]3)cc2[Br])[Br])cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.3194 |
| logD: | 7.3189 |
| logSw: | -5.7575 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.715 |
| InChI Key: | KLWJQYTXUZLGMG-UHFFFAOYSA-N |