7-tert-butyl-2-(2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-2-(2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
7-tert-butyl-2-(2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E210-0009 |
| Compound Name: | 7-tert-butyl-2-(2-oxo-2H-1-benzopyran-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C23 H22 N2 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(NC(C4=Cc5ccccc5OC4=O)=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8755 |
| logD: | 4.1679 |
| logSw: | -4.7647 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.636 |
| InChI Key: | QHLBPEPBHMMUAC-CYBMUJFWSA-N |