4-[4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)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-(pyrrolidin-1-yl)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-[4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2043 |
| Compound Name: | 4-[4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 563.72 |
| Molecular Formula: | C24 H29 N5 O5 S3 |
| Smiles: | C1CCN(C1)C(CSC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4553 |
| logD: | 0.4546 |
| logSw: | -2.1498 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.442 |
| InChI Key: | HNNTVOOLTNTLKD-UHFFFAOYSA-N |