2-(4-methoxyphenyl)-1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
2-(4-methoxyphenyl)-1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D116-0301 |
| Compound Name: | 2-(4-methoxyphenyl)-1-[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 429.48 |
| Molecular Formula: | C24 H23 N5 O3 |
| Smiles: | COc1ccc(CC(n2c(NCc3ccc(cc3)OC)nc(c3cccnc3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0113 |
| logD: | 2.8593 |
| logSw: | -2.9931 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.305 |
| InChI Key: | NRNQNGUIAUXWHB-UHFFFAOYSA-N |