methyl 2-{2-[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate
methyl 2-{2-[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | P671-3178 |
| Compound Name: | methyl 2-{2-[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamido}benzoate |
| Molecular Weight: | 409.42 |
| Molecular Formula: | C19 H15 N5 O4 S |
| Smiles: | [H]N(C(CC1=NN([H])C(c2cc(c3cccs3)nn12)=O)=O)c1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.14 |
| logD: | 2.1338 |
| logSw: | -3.1171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.393 |
| InChI Key: | PMOMNVRQSVSUNP-UHFFFAOYSA-N |