2-(3,4-dimethoxyphenyl)-7-[(3-methylbutyl)sulfanyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-7-[(3-methylbutyl)sulfanyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
2-(3,4-dimethoxyphenyl)-7-[(3-methylbutyl)sulfanyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0732 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-7-[(3-methylbutyl)sulfanyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C18 H22 N4 O3 S |
| Smiles: | CC(C)CCSC1=NNC(c2cc(c3ccc(c(c3)OC)OC)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6852 |
| logD: | 3.6825 |
| logSw: | -4.0345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.847 |
| InChI Key: | FFWIQYMDNPDQBE-UHFFFAOYSA-N |