(3,4-dimethoxyphenyl)[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(3,4-dimethoxyphenyl)[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone
(3,4-dimethoxyphenyl)[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D116-0348 |
| Compound Name: | (3,4-dimethoxyphenyl)[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 433.44 |
| Molecular Formula: | C23 H20 F N5 O3 |
| Smiles: | COc1ccc(cc1OC)C(n1c(NCc2ccc(cc2)F)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5755 |
| logD: | 2.4262 |
| logSw: | -2.5933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.006 |
| InChI Key: | WXSIGQGGEMPQST-UHFFFAOYSA-N |