methyl {[3-(3-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}acetate
Chemical Structure Depiction of
methyl {[3-(3-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}acetate
methyl {[3-(3-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}acetate
Compound characteristics
| Compound ID: | 8640-0463 |
| Compound Name: | methyl {[3-(3-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}acetate |
| Molecular Weight: | 444.57 |
| Molecular Formula: | C22 H24 N2 O4 S2 |
| Smiles: | CC(C)C1Cc2c3C(N(C(=Nc3sc2CO1)SCC(=O)OC)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4581 |
| logD: | 4.4581 |
| logSw: | -4.5227 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.185 |
| InChI Key: | OWKYODRBEBQYFT-MRXNPFEDSA-N |