1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Chemical Structure Depiction of
1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Compound characteristics
| Compound ID: | D116-0297 |
| Compound Name: | 1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]butan-1-one |
| Molecular Weight: | 351.41 |
| Molecular Formula: | C19 H21 N5 O2 |
| Smiles: | CCCC(n1c(NCc2ccc(cc2)OC)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6284 |
| logD: | 2.4791 |
| logSw: | -2.4591 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.033 |
| InChI Key: | GPRVGNYBRCIJBM-UHFFFAOYSA-N |