7-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0666 |
| Compound Name: | 7-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8907 |
| logD: | 4.8896 |
| logSw: | -4.6318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.43 |
| InChI Key: | IZTAOTCBRSJPBR-UHFFFAOYSA-N |