benzyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
benzyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
benzyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K292-1093 |
| Compound Name: | benzyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C23 H18 N2 O5 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccsc2C1=O)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7385 |
| logD: | 4.7385 |
| logSw: | -4.9211 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.439 |
| InChI Key: | RSOYFIOBSGODPP-UHFFFAOYSA-N |