2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K280-0340 |
| Compound Name: | 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 564.69 |
| Molecular Formula: | C26 H28 N8 O3 S2 |
| Smiles: | Cc1cc(C)n(CCc2nc3c4ccccc4nc(n3n2)SCC(NCCc2ccc(cc2)S(N)(=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.1929 |
| logD: | 1.0905 |
| logSw: | -2.3857 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.689 |
| InChI Key: | WCDNCZDJXHFPQI-UHFFFAOYSA-N |