4-ethylphenyl {[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
4-ethylphenyl {[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
4-ethylphenyl {[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0628 |
| Compound Name: | 4-ethylphenyl {[2-(2H-1,3-benzodioxol-5-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C22 H18 N4 O5 S |
| Smiles: | CCc1ccc(cc1)OC(CSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8266 |
| logD: | 3.8266 |
| logSw: | -3.9846 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.103 |
| InChI Key: | BYPMQTPARJDPHH-UHFFFAOYSA-N |