2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K263-0735 |
| Compound Name: | 2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 525.69 |
| Molecular Formula: | C27 H31 N3 O4 S2 |
| Smiles: | CCOC(CCN1C(=Nc2c3ccccc3sc2C1=O)SCC(NCc1ccc(C)cc1)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6393 |
| logD: | 4.6393 |
| logSw: | -4.1768 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.641 |
| InChI Key: | PFKAFHNJCAMSNR-UHFFFAOYSA-N |