methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate
methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | P671-2747 |
| Compound Name: | methyl 4-{2-[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate |
| Molecular Weight: | 421.39 |
| Molecular Formula: | C21 H16 F N5 O4 |
| Smiles: | [H]N(C(CC1=NN([H])C(c2cc(c3ccc(cc3)F)nn12)=O)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8712 |
| logD: | 2.8696 |
| logSw: | -3.5624 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.072 |
| InChI Key: | VDRMWZNYEGLVJV-UHFFFAOYSA-N |