1-(5-{[(2-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(5-{[(2-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(3,4-dimethoxyphenyl)ethan-1-one
1-(5-{[(2-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 6855-0080 |
| Compound Name: | 1-(5-{[(2-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 462.94 |
| Molecular Formula: | C25 H23 Cl N4 O3 |
| Smiles: | COc1ccc(CC(n2c(NCc3ccccc3[Cl])nc(c3ccccc3)n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.8226 |
| logD: | 4.8199 |
| logSw: | -4.9609 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.96 |
| InChI Key: | KSPYOPNNWSVVRY-UHFFFAOYSA-N |