4-{4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-phenylethyl)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-phenylethyl)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-phenylethyl)butanamide
Compound characteristics
| Compound ID: | K292-1292 |
| 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-phenylethyl)butanamide |
| Molecular Weight: | 613.78 |
| Molecular Formula: | C28 H31 N5 O5 S3 |
| Smiles: | C(CC(NCCc1ccccc1)=O)CN1C(=Nc2ccsc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8675 |
| logD: | 0.8667 |
| logSw: | -2.1282 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 125.997 |
| InChI Key: | YVFMHPSEAPNLGY-UHFFFAOYSA-N |