3-(3,3-diethoxypropyl)-2-[(2-oxo-3-phenylhex-5-en-1-yl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(3,3-diethoxypropyl)-2-[(2-oxo-3-phenylhex-5-en-1-yl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-(3,3-diethoxypropyl)-2-[(2-oxo-3-phenylhex-5-en-1-yl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0731 |
| Compound Name: | 3-(3,3-diethoxypropyl)-2-[(2-oxo-3-phenylhex-5-en-1-yl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 536.71 |
| Molecular Formula: | C29 H32 N2 O4 S2 |
| Smiles: | CCOC(CCN1C(=Nc2c3ccccc3sc2C1=O)SCC(C(CC=C)c1ccccc1)=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8144 |
| logD: | 5.8144 |
| logSw: | -5.7386 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.417 |
| InChI Key: | PUEYPILZMVVYRT-OAQYLSRUSA-N |