methyl 4-{2-[4-oxo-1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-oxo-1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamido}benzoate
methyl 4-{2-[4-oxo-1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F417-0604 |
| Compound Name: | methyl 4-{2-[4-oxo-1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C22 H21 N5 O4 |
| Smiles: | CC(C)c1nnc2C(N(CC(Nc3ccc(cc3)C(=O)OC)=O)c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7546 |
| logD: | 2.7545 |
| logSw: | -3.2714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.695 |
| InChI Key: | YDQZXDCGUFPSOR-UHFFFAOYSA-N |