4-[4-oxo-2-({2-oxo-2-[phenyl(prop-2-en-1-yl)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-[phenyl(prop-2-en-1-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-[4-oxo-2-({2-oxo-2-[phenyl(prop-2-en-1-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2067 |
| Compound Name: | 4-[4-oxo-2-({2-oxo-2-[phenyl(prop-2-en-1-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 625.79 |
| Molecular Formula: | C29 H31 N5 O5 S3 |
| Smiles: | C=CCN(C(CSC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9319 |
| logD: | 1.9312 |
| logSw: | -2.5173 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.029 |
| InChI Key: | RKUMMWLXAMRJAL-UHFFFAOYSA-N |