2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-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)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1523 |
| Compound Name: | 2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C24 H18 F N3 O4 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(c1ccc(cc1)F)=O)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.9762 |
| logD: | 3.9762 |
| logSw: | -4.2566 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.55 |
| InChI Key: | IASFAAWHBXRFOX-UHFFFAOYSA-N |