[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | D116-0323 |
| Compound Name: | [5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C25 H25 N5 O5 |
| Smiles: | COc1ccc(CNc2nc(c3cccnc3)nn2C(c2cc(c(c(c2)OC)OC)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7038 |
| logD: | 2.5544 |
| logSw: | -2.9731 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.267 |
| InChI Key: | NDIIBRJZXXFUON-UHFFFAOYSA-N |