methyl 5-({[2-(4-ethylphenyl)-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-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | F835-0484 |
| Compound Name: | methyl 5-({[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCc1ccc(C(=O)OC)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4769 |
| logD: | 4.4755 |
| logSw: | -4.2969 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.33 |
| InChI Key: | JBXXQEUPZLFNAQ-UHFFFAOYSA-N |