2-{[2-(4-tert-butylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-tert-butylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
2-{[2-(4-tert-butylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G199-1664 |
| Compound Name: | 2-{[2-(4-tert-butylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)NC(CSC1=NC(c2ccc(cc2)C(C)(C)C)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5051 |
| logD: | 5.5051 |
| logSw: | -5.3559 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.082 |
| InChI Key: | SFHPFPPJSQCQIY-UHFFFAOYSA-N |