2-{[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V030-9741 |
| Compound Name: | 2-{[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C21 H22 F N5 O S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2cccnc2)n1c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8537 |
| logD: | 2.8495 |
| logSw: | -3.0147 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.322 |
| InChI Key: | JBMIDXYCEHUPAO-UHFFFAOYSA-N |