4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid
4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K292-1664 |
| Compound Name: | 4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 564.7 |
| Molecular Formula: | C24 H28 N4 O6 S3 |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccsc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4454 |
| logD: | -1.1149 |
| logSw: | -2.1715 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 130.306 |
| InChI Key: | GJVOLYVEJKDBDM-UHFFFAOYSA-N |