7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(4-methylphenyl)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-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0241 |
| Compound Name: | 7-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-2-(4-methylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C21 H16 N4 O4 S |
| Smiles: | Cc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1949 |
| logD: | 4.192 |
| logSw: | -4.283 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.677 |
| InChI Key: | TYFKIYGXKINGJG-UHFFFAOYSA-N |