methyl 5-({[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | F835-0550 |
| Compound Name: | methyl 5-({[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C16 H12 N4 O4 S2 |
| Smiles: | COC(c1ccc(CSC2=NNC(c3cc(c4cccs4)nn23)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2102 |
| logD: | 3.2088 |
| logSw: | -3.3943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.348 |
| InChI Key: | BLZOXMNBQPHXEK-UHFFFAOYSA-N |