1-(2H-1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8011-6380 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C13 H12 N2 O3 S |
| Smiles: | Cn1ccnc1SCC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0514 |
| logD: | 2.0036 |
| logSw: | -2.7362 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.248 |
| InChI Key: | LZZRCCILIHSZOJ-UHFFFAOYSA-N |