4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | K292-1875 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C22 H20 N4 O4 S3 |
| Smiles: | C(CNC(c1ccc(CN2C(c3c(ccs3)NC2=S)=O)cc1)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.932 |
| logD: | 1.9313 |
| logSw: | -2.6539 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.194 |
| InChI Key: | XRDVACSBANJSKK-UHFFFAOYSA-N |