2-tert-butyl-5-methylphenyl {[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
2-tert-butyl-5-methylphenyl {[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
2-tert-butyl-5-methylphenyl {[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0110 |
| Compound Name: | 2-tert-butyl-5-methylphenyl {[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1cccc(c1)C1=NC2=CC(NN2C(=N1)SCC(=O)Oc1cc(C)ccc1C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1645 |
| logD: | 5.1645 |
| logSw: | -4.9445 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.074 |
| InChI Key: | WEDXIZXIHHMEGT-UHFFFAOYSA-N |