2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E210-0006 |
| Compound Name: | 2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 485.4 |
| Molecular Formula: | C23 H21 Br N2 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(NC(C4=Cc5cc(ccc5OC4=O)[Br])=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6148 |
| logD: | 4.9072 |
| logSw: | -5.5826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.636 |
| InChI Key: | DSBVVDFGHJCHBX-GFCCVEGCSA-N |