3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-0108 |
| Compound Name: | 3-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 466.37 |
| Molecular Formula: | C25 H20 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1ccc(c(c1)OC)OCc1ccccc1[Cl])C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 5.7263 |
| logD: | 5.7259 |
| logSw: | -6.133 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.259 |
| InChI Key: | WLLRKGHODXWZSJ-XDHOZWIPSA-N |