4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzenesulfonate
Chemical Structure Depiction of
4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzenesulfonate
4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3949-2314 |
| Compound Name: | 4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzenesulfonate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C22 H18 N2 O4 S2 |
| Smiles: | C1CCc2c(C1)c1C(NC(c3ccc(cc3)OS(c3ccccc3)(=O)=O)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4778 |
| logD: | 4.4526 |
| logSw: | -4.637 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.476 |
| InChI Key: | IJDIKNMIVOBOMY-UHFFFAOYSA-N |