2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G856-2617 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C23 H16 F N3 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc(n1c1ccccc1)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7429 |
| logD: | 4.7429 |
| logSw: | -4.9369 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.075 |
| InChI Key: | LGOVYYPKPTWCPS-UHFFFAOYSA-N |