[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
Chemical Structure Depiction of
[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
Compound characteristics
| Compound ID: | D116-0305 |
| Compound Name: | [5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C22 H19 N5 O2 |
| Smiles: | COc1ccc(CNc2nc(c3cccnc3)nn2C(c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8836 |
| logD: | 2.7343 |
| logSw: | -3.0141 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.289 |
| InChI Key: | SBKDLUCGOBKRMP-UHFFFAOYSA-N |