2-{[3-(3-ethoxypropyl)-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-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K263-0491 |
| Compound Name: | 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 481.64 |
| Molecular Formula: | C25 H27 N3 O3 S2 |
| Smiles: | CCOCCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5384 |
| logD: | 4.5384 |
| logSw: | -4.0986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.965 |
| InChI Key: | XSXHMWWMIWXAJS-UHFFFAOYSA-N |