2-(3,4-dimethoxyphenyl)-7-{[(3-methylphenyl)methyl]sulfanyl}pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-7-{[(3-methylphenyl)methyl]sulfanyl}pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
2-(3,4-dimethoxyphenyl)-7-{[(3-methylphenyl)methyl]sulfanyl}pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0345 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-7-{[(3-methylphenyl)methyl]sulfanyl}pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | Cc1cccc(CSC2=NNC(c3cc(c4ccc(c(c4)OC)OC)nn23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.236 |
| logD: | 4.2349 |
| logSw: | -4.3602 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.575 |
| InChI Key: | UXQDKMIVYMAZKE-UHFFFAOYSA-N |