4-[2-{[2-(4-ethylanilino)-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-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-[2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2046 |
| Compound Name: | 4-[2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 613.78 |
| Molecular Formula: | C28 H31 N5 O5 S3 |
| Smiles: | CCc1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3421 |
| logD: | 2.3414 |
| logSw: | -2.9402 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 124.833 |
| InChI Key: | SRHGNJCIUSCGAT-UHFFFAOYSA-N |