1-[3-(4-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
1-[3-(4-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | 6855-0329 |
| Compound Name: | 1-[3-(4-chlorophenyl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 386.84 |
| Molecular Formula: | C19 H19 Cl N4 O3 |
| Smiles: | COCC(n1c(NCc2ccc(cc2)OC)nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1796 |
| logD: | 3.1796 |
| logSw: | -3.7259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.939 |
| InChI Key: | JXYNSTDWTRJVKZ-UHFFFAOYSA-N |