2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(3-methylphenoxy)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-(3-methylphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(3-methylphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one
Compound characteristics
| Compound ID: | G199-2105 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-{[2-(3-methylphenoxy)ethyl]sulfanyl}pyrazolo[1,5-a][1,3,5]triazin-7(6H)-one |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | Cc1cccc(c1)OCCSC1=NC(c2ccc3c(c2)OCO3)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6953 |
| logD: | 3.6953 |
| logSw: | -3.8927 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.466 |
| InChI Key: | IVEYWWUVMKAPTF-UHFFFAOYSA-N |