4-(4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzoate
Chemical Structure Depiction of
4-(4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzoate
4-(4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzoate
Compound characteristics
| Compound ID: | 8004-9848 |
| Compound Name: | 4-(4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzoate |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C23 H20 N2 O3 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3ccc(cc3)OC(c3ccccc3)=O)Nc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2322 |
| logD: | 4.2322 |
| logSw: | -4.4628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.578 |
| InChI Key: | GSUQLRBFEZORCY-HXUWFJFHSA-N |