2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K292-0734 |
| Compound Name: | 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 588.72 |
| Molecular Formula: | C26 H28 N4 O6 S3 |
| Smiles: | COc1ccc(CCN2C(=Nc3ccsc3C2=O)SCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8195 |
| logD: | 1.8187 |
| logSw: | -2.5193 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.945 |
| InChI Key: | XKAUCDXAHDUILC-UHFFFAOYSA-N |