2-[(4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-[(4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-[(4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | 8019-6554 |
| Compound Name: | 2-[(4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C21 H20 N6 O4 S2 |
| Smiles: | C(CNC(CSC1NC(n2c(c(cn2)c2ccccc2)N=1)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3498 |
| logD: | 1.3327 |
| logSw: | -2.2892 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.207 |
| InChI Key: | FRDIJPYJQSJSJS-UHFFFAOYSA-N |