N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-2-{[2-(3-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(3,4-dimethylphenyl)-2-{[2-(3-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-1432 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{[2-(3-methoxyphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=NC(c2cccc(c2)OC)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.747 |
| logD: | 3.747 |
| logSw: | -3.9738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.626 |
| InChI Key: | XLFJUSAJMGDDOK-UHFFFAOYSA-N |