2-tert-butyl-5-methylphenyl {[2-(furan-2-yl)-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-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
2-tert-butyl-5-methylphenyl {[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0522 |
| Compound Name: | 2-tert-butyl-5-methylphenyl {[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | Cc1ccc(c(c1)OC(CSC1=NC(c2ccco2)=NC2=CC(NN12)=O)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.9183 |
| logD: | 3.9183 |
| logSw: | -3.9491 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.652 |
| InChI Key: | FHZIRGKYDWFHJN-UHFFFAOYSA-N |