2-{[5-(2-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(2-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V005-8859 |
| Compound Name: | 2-{[5-(2-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C23 H25 F N4 O S |
| Salt: | not_available |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccccc2F)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5762 |
| logD: | 4.5762 |
| logSw: | -4.4127 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.105 |
| InChI Key: | KNFNDSGELCFHID-UHFFFAOYSA-N |