2-{[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
2-{[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
Compound characteristics
Compound ID: | G199-0503 |
Compound Name: | 2-{[2-(2-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide |
Molecular Weight: | 439.92 |
Molecular Formula: | C21 H18 Cl N5 O2 S |
Smiles: | Cc1ccc(c(C)c1)NC(CSC1=NC(c2ccccc2[Cl])=NC2=CC(NN12)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.619 |
logD: | 3.619 |
logSw: | -3.8465 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.384 |
InChI Key: | VDEUACMKYHUPOY-UHFFFAOYSA-N |