2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
Compound characteristics
| Compound ID: | G786-1524 |
| Compound Name: | 2-[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0055 |
| logD: | 3.0055 |
| logSw: | -3.3299 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.803 |
| InChI Key: | CIEJZAYSZJJXEW-UHFFFAOYSA-N |