1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | D116-0303 |
| Compound Name: | 1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C23 H21 N5 O3 |
| Smiles: | COc1ccc(CNc2nc(c3cccnc3)nn2C(COc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6917 |
| logD: | 2.5423 |
| logSw: | -2.7192 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.26 |
| InChI Key: | KJHIKXCSUBTGRS-UHFFFAOYSA-N |