3-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
3-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-8673 |
| Compound Name: | 3-{2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl}-2-(5-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 500.81 |
| Molecular Formula: | C25 H19 Cl2 N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)nc(/C(=C/c1cccc(c1OCc1ccc(cc1[Cl])[Cl])OC)C#N)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 6.6507 |
| logD: | 6.6503 |
| logSw: | -6.3125 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.345 |
| InChI Key: | PYASMJZPPVZLFL-WOJGMQOQSA-N |