methyl 2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-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-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
methyl 2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Compound characteristics
Compound ID: | 8640-0407 |
Compound Name: | methyl 2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate |
Molecular Weight: | 444.57 |
Molecular Formula: | C22 H24 N2 O4 S2 |
Smiles: | CC(C(=O)OC)SC1=Nc2c(C(N1c1cccc(C)c1)=O)c1CC(C)(C)OCc1s2 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7611 |
logD: | 4.7611 |
logSw: | -4.7748 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 54.125 |
InChI Key: | RJAXWQXNUFMWAA-ZDUSSCGKSA-N |