N-(3,4-dimethoxyphenyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(3,4-dimethoxyphenyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-2965 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | Cc1ccccc1C1=NC2=CC(NN2C(=N1)SCC(Nc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4914 |
| logD: | 2.4914 |
| logSw: | -2.9543 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.343 |
| InChI Key: | GFONMXZIPKKTRO-UHFFFAOYSA-N |