4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2006 |
| Compound Name: | 4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 589.71 |
| Molecular Formula: | C25 H27 N5 O6 S3 |
| Smiles: | C(CC(NCCc1ccc(cc1)S(N)(=O)=O)=O)CN1C(=Nc2ccsc2C1=O)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8434 |
| logD: | 0.8427 |
| logSw: | -2.1265 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 133.904 |
| InChI Key: | LUHWLFJOGJATRG-UHFFFAOYSA-N |