methyl 2-(2-{[2-(4-fluorophenyl)-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-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F424-0155 |
| Compound Name: | methyl 2-(2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C21 H16 F N5 O4 S |
| Smiles: | COC(c1ccccc1NC(CSC1=NNC(c2cc(c3ccc(cc3)F)nn12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2404 |
| logD: | 3.2285 |
| logSw: | -3.6801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.94 |
| InChI Key: | YNIIYLYLVNNVDC-UHFFFAOYSA-N |