N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G199-3727 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
Molecular Weight: | 465.49 |
Molecular Formula: | C22 H19 N5 O5 S |
Smiles: | CCOc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9253 |
logD: | 2.9252 |
logSw: | -3.4948 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 97.321 |
InChI Key: | KNXIVVUGZZQYEV-UHFFFAOYSA-N |