2-{[5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | G856-2660 |
| Compound Name: | 2-{[5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 493.51 |
| Molecular Formula: | C25 H20 F N3 O5 S |
| Smiles: | COc1ccc(cc1)n1c(COc2ccc3c(c2)OCO3)nnc1SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0802 |
| logD: | 4.0802 |
| logSw: | -4.446 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.094 |
| InChI Key: | AUCQOBXIJATSSL-UHFFFAOYSA-N |