2-(2H-1,3-benzodioxol-5-yl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(2H-1,3-benzodioxol-5-yl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-2107 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-({2-[2-(prop-2-en-1-yl)phenoxy]ethyl}sulfanyl)pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | C=CCc1ccccc1OCCSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.155 |
| logD: | 4.155 |
| logSw: | -4.4635 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.553 |
| InChI Key: | YPGRIAKPDVIVDO-UHFFFAOYSA-N |