methyl 8-{[(2,6-dimethylpyrimidin-4-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Chemical Structure Depiction of
methyl 8-{[(2,6-dimethylpyrimidin-4-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
methyl 8-{[(2,6-dimethylpyrimidin-4-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate
Compound characteristics
| Compound ID: | D306-0443 |
| Compound Name: | methyl 8-{[(2,6-dimethylpyrimidin-4-yl)sulfanyl]methyl}-2H,4H-1,3-benzodioxine-6-carboxylate |
| Molecular Weight: | 346.4 |
| Molecular Formula: | C17 H18 N2 O4 S |
| Smiles: | Cc1cc(nc(C)n1)SCc1cc(cc2COCOc12)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0237 |
| logD: | 3.0213 |
| logSw: | -3.0168 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.381 |
| InChI Key: | WTBUPWXZKXMRSK-UHFFFAOYSA-N |