4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
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}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2048 |
| Compound Name: | 4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 692.85 |
| Molecular Formula: | C28 H32 N6 O7 S4 |
| Smiles: | C(CC(NCCc1ccc(cc1)S(N)(=O)=O)=O)CN1C(=Nc2ccsc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.772 |
| logD: | -0.7727 |
| logSw: | -1.9861 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 176.6 |
| InChI Key: | JRWKFMFFZDHQCC-UHFFFAOYSA-N |