1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]ethan-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D306-0253 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C21 H18 N2 O3 S |
| Smiles: | Cc1nc(cc(n1)SCC(c1ccc2c(c1)OCCO2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7979 |
| logD: | 3.797 |
| logSw: | -4.0298 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.311 |
| InChI Key: | SJSMWFMOOUQNLK-UHFFFAOYSA-N |