2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
Compound ID: | V030-6003 |
Compound Name: | 2-{[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
Molecular Weight: | 444.96 |
Molecular Formula: | C22 H22 Cl F N4 O S |
Salt: | not_available |
Smiles: | CC1CCN(CC1)C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1F)=O |
Stereo: | ACHIRAL |
logP: | 4.566 |
logD: | 4.566 |
logSw: | -4.6206 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.804 |
InChI Key: | DLGTUFQDGMYDMS-UHFFFAOYSA-N |