methyl 5-({[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | F835-0352 |
| Compound Name: | methyl 5-({[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C20 H18 N4 O6 S |
| Smiles: | COC(c1ccc(CSC2=NNC(c3cc(c4ccc(c(c4)OC)OC)nn23)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0468 |
| logD: | 3.0455 |
| logSw: | -3.4005 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.59 |
| InChI Key: | PRDOEBBFXWGKRF-UHFFFAOYSA-N |