2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-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-phenylethan-1-one
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
Compound characteristics
Compound ID: | G856-2662 |
Compound Name: | 2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one |
Molecular Weight: | 383.42 |
Molecular Formula: | C19 H17 N3 O4 S |
Smiles: | Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 2.391 |
logD: | 2.391 |
logSw: | -2.8543 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.889 |
InChI Key: | KWWYKIMPWRWXMC-UHFFFAOYSA-N |