4-bromo-2-(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-bromo-2-(4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzoate
4-bromo-2-(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: | 8007-3741 |
| Compound Name: | 4-bromo-2-(4-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenyl benzoate |
| Molecular Weight: | 483.38 |
| Molecular Formula: | C23 H19 Br N2 O3 S |
| Smiles: | C1CCc2c(C1)c1C(NC(c3cc(ccc3OC(c3ccccc3)=O)[Br])Nc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8827 |
| logD: | 4.8827 |
| logSw: | -5.0615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.664 |
| InChI Key: | WOALPSCDTAAAHW-HXUWFJFHSA-N |