ethyl {[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
ethyl {[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K292-2044 |
| Compound Name: | ethyl {[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 538.66 |
| Molecular Formula: | C22 H26 N4 O6 S3 |
| Smiles: | CCOC(CSC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6226 |
| logD: | 0.6218 |
| logSw: | -2.2114 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.114 |
| InChI Key: | AQGUFWARENTXBJ-UHFFFAOYSA-N |