2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(2-methoxyphenoxy)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-methoxyphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-2106 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | COc1ccccc1OCCSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8872 |
| logD: | 2.8872 |
| logSw: | -3.4786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.183 |
| InChI Key: | CNDNCORKGLTXDZ-UHFFFAOYSA-N |