4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K292-1601 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 506.66 |
| Molecular Formula: | C22 H26 N4 O4 S3 |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=S)=O)C(NCCc1ccc(cc1)S(N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4302 |
| logD: | 2.4294 |
| logSw: | -2.8483 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.386 |
| InChI Key: | WHGWDFCANLZYIF-UHFFFAOYSA-N |