3,4-dimethylphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
3,4-dimethylphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
3,4-dimethylphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | F571-0003 |
| Compound Name: | 3,4-dimethylphenyl [(7-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)OC(CSC1=NC(c2ccccc2)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8446 |
| logD: | 3.8446 |
| logSw: | -3.9693 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.987 |
| InChI Key: | AMNHURFTKMQRSJ-UHFFFAOYSA-N |