1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8018-4847 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 290.34 |
| Molecular Formula: | C14 H14 N2 O3 S |
| Smiles: | Cn1ccnc1SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1909 |
| logD: | 1.143 |
| logSw: | -2.2307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.956 |
| InChI Key: | CXNAGUKJFXNYTN-UHFFFAOYSA-N |