1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butane-1,4-dione
Chemical Structure Depiction of
1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butane-1,4-dione
1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butane-1,4-dione
Compound characteristics
| Compound ID: | S517-1156 |
| Compound Name: | 1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butane-1,4-dione |
| Molecular Weight: | 472.55 |
| Molecular Formula: | C26 H28 N6 O3 |
| Smiles: | C1CN(CCC1Cc1nncn1c1ccccc1)C(CCC(N1CC(Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8019 |
| logD: | 1.8003 |
| logSw: | -2.3788 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.77 |
| InChI Key: | MMWBKPCSKCLEIL-UHFFFAOYSA-N |