N-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G199-3717 |
Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[2-(4-ethoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
Molecular Weight: | 473.91 |
Molecular Formula: | C21 H17 Cl F N5 O3 S |
Smiles: | CCOc1ccc(cc1)C1=NC2=CC(NN2C(=N1)SCC(Nc1ccc(c(c1)[Cl])F)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8223 |
logD: | 3.8174 |
logSw: | -4.3218 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.206 |
InChI Key: | YZJGEGMOCCIOCP-UHFFFAOYSA-N |