2-{[3-(4-chloro-3-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-chloro-3-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-{[3-(4-chloro-3-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K292-0911 |
| Compound Name: | 2-{[3-(4-chloro-3-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 549.09 |
| Molecular Formula: | C23 H21 Cl N4 O4 S3 |
| Smiles: | Cc1cc(ccc1[Cl])N1C(=Nc2ccsc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1031 |
| logD: | 3.1024 |
| logSw: | -3.5452 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.094 |
| InChI Key: | OVLZVOUULUFOFX-UHFFFAOYSA-N |