1-(5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethan-1-one
1-(5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 6855-0043 |
| Compound Name: | 1-(5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 432.91 |
| Molecular Formula: | C24 H21 Cl N4 O2 |
| Smiles: | COc1ccc(CC(n2c(NCc3ccc(cc3)[Cl])nc(c3ccccc3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9991 |
| logD: | 4.9965 |
| logSw: | -5.2162 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.243 |
| InChI Key: | ZPSJOIBSJDGJJQ-UHFFFAOYSA-N |