2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-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-methyl-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-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G786-1531 |
| Compound Name: | 2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C19 H16 F N3 O4 S |
| Smiles: | Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5251 |
| logD: | 2.5251 |
| logSw: | -2.8947 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.889 |
| InChI Key: | YTHIUVFNPOTPNR-UHFFFAOYSA-N |