7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0373 |
| Compound Name: | 7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 466.47 |
| Molecular Formula: | C22 H18 N4 O6 S |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2721 |
| logD: | 3.2692 |
| logSw: | -3.5709 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.938 |
| InChI Key: | CQBJLMSQJYGYLE-UHFFFAOYSA-N |