methyl {[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}acetate
Chemical Structure Depiction of
methyl {[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}acetate
methyl {[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}acetate
Compound characteristics
Compound ID: | 8640-0399 |
Compound Name: | methyl {[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}acetate |
Molecular Weight: | 430.54 |
Molecular Formula: | C21 H22 N2 O4 S2 |
Smiles: | Cc1cccc(c1)N1C(=Nc2c(C1=O)c1CC(C)(C)OCc1s2)SCC(=O)OC |
Stereo: | ACHIRAL |
logP: | 3.9843 |
logD: | 3.9843 |
logSw: | -4.3268 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 53.53 |
InChI Key: | FAEWRVCJPYZASU-UHFFFAOYSA-N |