2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzene-1-sulfonate
2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3949-2321 |
| Compound Name: | 2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 496.6 |
| Molecular Formula: | C25 H24 N2 O5 S2 |
| Smiles: | CCOc1cc(ccc1OS(c1ccc(C)cc1)(=O)=O)C1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8912 |
| logD: | 4.8849 |
| logSw: | -4.6936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.772 |
| InChI Key: | CMSLVGBKMYINLX-UHFFFAOYSA-N |