N-[(oxolan-2-yl)methyl]-2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide
N-[(oxolan-2-yl)methyl]-2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | K263-0477 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide |
| Molecular Weight: | 503.68 |
| Molecular Formula: | C25 H33 N3 O4 S2 |
| Smiles: | CCC(C(NCC1CCCO1)=O)SC1=Nc2c3ccccc3sc2C(N1CCCOC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0079 |
| logD: | 4.0079 |
| logSw: | -3.9245 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.056 |
| InChI Key: | CEMGSZSIZBOXTI-UHFFFAOYSA-N |