3-(3-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(3-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-(3-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8640-0466 |
| Compound Name: | 3-(3-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 490.64 |
| Molecular Formula: | C27 H26 N2 O3 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(C(=Nc3sc2CO1)SCC(c1ccccc1)=O)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8603 |
| logD: | 5.8603 |
| logSw: | -5.5571 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.581 |
| InChI Key: | KDBVBBPEDUUMLI-JOCHJYFZSA-N |