2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | K263-0488 |
| Compound Name: | 2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 509.69 |
| Molecular Formula: | C27 H31 N3 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2c3ccccc3sc2C(N1CCCOC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9422 |
| logD: | 5.9422 |
| logSw: | -5.6286 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.866 |
| InChI Key: | PYXXVIOZTLHPDU-UHFFFAOYSA-N |