2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | 8019-8187 |
| Compound Name: | 2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 502.54 |
| Molecular Formula: | C21 H19 F N6 O4 S2 |
| Smiles: | C(CNC(CSC1NC(n2c(c(cn2)c2ccc(cc2)F)N=1)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4839 |
| logD: | 1.4668 |
| logSw: | -2.3191 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.207 |
| InChI Key: | XHIHCUMJOJXHNO-UHFFFAOYSA-N |