4-tert-butylphenyl {[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
4-tert-butylphenyl {[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
4-tert-butylphenyl {[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0089 |
| Compound Name: | 4-tert-butylphenyl {[2-(3-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | Cc1cccc(c1)C1=NC2=CC(NN2C(=N1)SCC(=O)Oc1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.139 |
| logD: | 5.139 |
| logSw: | -5.0384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.987 |
| InChI Key: | VJGXQSLCHNGWTB-UHFFFAOYSA-N |