methyl 2-(2-{[2-(furan-2-yl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[2-(furan-2-yl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[2-(furan-2-yl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F424-0869 |
| Compound Name: | methyl 2-(2-{[2-(furan-2-yl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 425.42 |
| Molecular Formula: | C19 H15 N5 O5 S |
| Smiles: | COC(c1ccccc1NC(CSC1=NNC(c2cc(c3ccco3)nn12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1375 |
| logD: | 2.1256 |
| logSw: | -3.0878 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.518 |
| InChI Key: | LICJDSWXEZNBIW-UHFFFAOYSA-N |