4-[2-{[2-(4-chlorophenyl)-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-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2033 |
| Compound Name: | 4-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 605.15 |
| Molecular Formula: | C26 H25 Cl N4 O5 S3 |
| Smiles: | C(CC(NCCc1ccc(cc1)S(N)(=O)=O)=O)CN1C(=Nc2ccsc2C1=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1334 |
| logD: | 2.1326 |
| logSw: | -3.1916 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.931 |
| InChI Key: | USTSSXJZXXUFFL-UHFFFAOYSA-N |