(4-fluorophenyl)[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone
Chemical Structure Depiction of
(4-fluorophenyl)[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone
(4-fluorophenyl)[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone
Compound characteristics
| Compound ID: | D116-0306 |
| Compound Name: | (4-fluorophenyl)[5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C22 H18 F N5 O2 |
| Smiles: | COc1ccc(CNc2nc(c3cccnc3)nn2C(c2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0178 |
| logD: | 2.8684 |
| logSw: | -3.0605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.289 |
| InChI Key: | XHPGNFPIQYIAQC-UHFFFAOYSA-N |