2-{[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8014-8859 |
| Compound Name: | 2-{[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]sulfanyl}-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C26 H21 N3 O2 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC1=CC(Nc2ccccc12)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1774 |
| logD: | 5.1772 |
| logSw: | -5.2899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.803 |
| InChI Key: | UDEPALKTPVXBFR-UHFFFAOYSA-N |