ethyl 1-(2-{2-[(butan-2-yl)amino]-2-oxoethyl}-1-oxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{2-[(butan-2-yl)amino]-2-oxoethyl}-1-oxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate
ethyl 1-(2-{2-[(butan-2-yl)amino]-2-oxoethyl}-1-oxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C200-8639 |
| Compound Name: | ethyl 1-(2-{2-[(butan-2-yl)amino]-2-oxoethyl}-1-oxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C23 H30 N6 O4 |
| Smiles: | CCC(C)NC(CN1C(N2C(C(=Nc3ccccc23)N2CCC(CC2)C(=O)OCC)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0567 |
| logD: | 2.0567 |
| logSw: | -2.5191 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.697 |
| InChI Key: | ZTJYQHGSOFREFJ-HNNXBMFYSA-N |