benzyl {[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
benzyl {[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
benzyl {[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: | K292-1347 |
| Compound Name: | benzyl {[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: | 551.64 |
| Molecular Formula: | C27 H25 N3 O6 S2 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2ccsc2C1=O)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6698 |
| logD: | 3.6698 |
| logSw: | -4.0095 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.889 |
| InChI Key: | RQXAWZNINAIOJU-UHFFFAOYSA-N |