1-(2H-1,3-benzodioxol-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8010-5198 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 277.3 |
| Molecular Formula: | C12 H11 N3 O3 S |
| Smiles: | Cn1cnnc1SCC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4805 |
| logD: | 1.4805 |
| logSw: | -2.2904 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.095 |
| InChI Key: | UFOVFQCRKXZXDA-UHFFFAOYSA-N |