ethyl {6,6-dimethyl-2,4-dioxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetate
Chemical Structure Depiction of
ethyl {6,6-dimethyl-2,4-dioxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetate
ethyl {6,6-dimethyl-2,4-dioxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetate
Compound characteristics
Compound ID: | 8640-0203 |
Compound Name: | ethyl {6,6-dimethyl-2,4-dioxo-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(4H)-yl}acetate |
Molecular Weight: | 449.52 |
Molecular Formula: | C21 H27 N3 O6 S |
Smiles: | CCOC(CN1C(c2c3CC(C)(C)OCc3sc2N(CC(N2CCCC2)=O)C1=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1474 |
logD: | 2.1474 |
logSw: | -2.1116 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 76.525 |
InChI Key: | QYLUPZQLYDWENP-UHFFFAOYSA-N |