6-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid
Chemical Structure Depiction of
6-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid
6-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid
Compound characteristics
| Compound ID: | K292-1615 |
| Compound Name: | 6-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid |
| Molecular Weight: | 538.66 |
| Molecular Formula: | C22 H26 N4 O6 S3 |
| Smiles: | C(CCC(O)=O)CCN1C(=Nc2ccsc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.817 |
| logD: | -2.0112 |
| logSw: | -2.1042 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 130.339 |
| InChI Key: | SHDSMLKSBOJFFS-UHFFFAOYSA-N |