methyl {[4-oxo-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-oxo-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
methyl {[4-oxo-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8640-0419 |
| Compound Name: | methyl {[4-oxo-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C23 H26 N2 O4 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(CCc4ccccc4)C(=Nc3sc2CO1)SCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5323 |
| logD: | 4.5323 |
| logSw: | -4.5068 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.775 |
| InChI Key: | VYMODJNACFGHQN-QGZVFWFLSA-N |