3-(2-methoxyphenyl)-1-[5-{[(4-methylphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one
Chemical Structure Depiction of
3-(2-methoxyphenyl)-1-[5-{[(4-methylphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one
3-(2-methoxyphenyl)-1-[5-{[(4-methylphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one
Compound characteristics
| Compound ID: | F019-3127 |
| Compound Name: | 3-(2-methoxyphenyl)-1-[5-{[(4-methylphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C25 H23 N5 O2 |
| Smiles: | Cc1ccc(CNc2nc(c3cccnc3)nn2C(/C=C/c2ccccc2OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.992 |
| logD: | 3.8426 |
| logSw: | -3.9441 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.848 |
| InChI Key: | MOAYAWTVRKIKCL-UHFFFAOYSA-N |