4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}methyl)benzoic 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)benzoic acid
4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}methyl)benzoic acid
Compound characteristics
| Compound ID: | K292-1888 |
| 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)benzoic acid |
| Molecular Weight: | 558.65 |
| Molecular Formula: | C24 H22 N4 O6 S3 |
| Smiles: | C(CNC(CSC1=Nc2ccsc2C(N1Cc1ccc(cc1)C(O)=O)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0515 |
| logD: | -0.92 |
| logSw: | -2.6766 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 130.114 |
| InChI Key: | IRXZYTJMFHJEAX-UHFFFAOYSA-N |