ethyl {[3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
ethyl {[3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
Compound ID: | K292-1338 |
Compound Name: | ethyl {[3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
Molecular Weight: | 489.57 |
Molecular Formula: | C22 H23 N3 O6 S2 |
Smiles: | CCOC(CSC1=Nc2ccsc2C(N1CCCC(NCc1ccc2c(c1)OCO2)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4004 |
logD: | 2.4004 |
logSw: | -2.8082 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.785 |
InChI Key: | ALEVNMZXBLWSIU-UHFFFAOYSA-N |