1-(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-phenoxyethan-1-one
1-(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | 6855-0117 |
| Compound Name: | 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)-2-phenoxyethan-1-one |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C24 H22 N4 O3 |
| Smiles: | COc1ccc(CNc2nc(c3ccccc3)nn2C(COc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0672 |
| logD: | 4.0672 |
| logSw: | -4.172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.743 |
| InChI Key: | ZYBPCHISEPPEKL-UHFFFAOYSA-N |