tert-butyl {[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
tert-butyl {[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F835-0483 |
| Compound Name: | tert-butyl {[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC(=O)OC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5532 |
| logD: | 4.5517 |
| logSw: | -4.3518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.854 |
| InChI Key: | TXJIRAUISKGZRR-UHFFFAOYSA-N |