methyl 2-{[3-(2-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[3-(2-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
methyl 2-{[3-(2-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | 5586-2189 |
| Compound Name: | methyl 2-{[3-(2-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C23 H26 N2 O4 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(C(=Nc3sc2CO1)SC(C)C(=O)OC)c1ccccc1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1646 |
| logD: | 5.1646 |
| logSw: | -5.019 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.479 |
| InChI Key: | IXWFCNODAAQHDA-UHFFFAOYSA-N |