ethyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
ethyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K263-0057 |
| Compound Name: | ethyl ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C22 H18 N2 O5 S2 |
| Smiles: | CCOC(CSC1=Nc2c3ccccc3sc2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6201 |
| logD: | 4.6201 |
| logSw: | -4.3222 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.812 |
| InChI Key: | OTXMZADZWNPHIQ-UHFFFAOYSA-N |