methyl {[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
methyl {[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F835-0504 |
| Compound Name: | methyl {[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C16 H16 N4 O3 S |
| Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0375 |
| logD: | 3.0359 |
| logSw: | -3.3369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.165 |
| InChI Key: | ZLVKVLCOVMOVRR-UHFFFAOYSA-N |