4-[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2004 |
| Compound Name: | 4-[2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 595.13 |
| Molecular Formula: | C25 H24 Cl F N4 O4 S3 |
| Smiles: | C(CC(NCCc1ccc(cc1)S(N)(=O)=O)=O)CN1C(=Nc2ccsc2C1=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 2.7626 |
| logD: | 2.7619 |
| logSw: | -3.5177 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.684 |
| InChI Key: | NUKWTCDOYVTFJF-UHFFFAOYSA-N |