4-[2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-[2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2053 |
| Compound Name: | 4-[2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 570.75 |
| Molecular Formula: | C27 H30 N4 O4 S3 |
| Smiles: | Cc1ccc(C)c(CSC2=Nc3ccsc3C(N2CCCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.241 |
| logD: | 3.2403 |
| logSw: | -3.6439 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.684 |
| InChI Key: | HTDWFCOQTFXTHQ-UHFFFAOYSA-N |