N-(2-chlorophenyl)-2-{[2-(3-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-{[2-(3-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(2-chlorophenyl)-2-{[2-(3-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G199-1425 |
Compound Name: | N-(2-chlorophenyl)-2-{[2-(3-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
Molecular Weight: | 441.89 |
Molecular Formula: | C20 H16 Cl N5 O3 S |
Smiles: | COc1cccc(c1)C1=NC2=CC(NN2C(=N1)SCC(Nc1ccccc1[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8103 |
logD: | 2.8102 |
logSw: | -3.5105 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.928 |
InChI Key: | HJXTUMKOSOWIJA-UHFFFAOYSA-N |