1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
Chemical Structure Depiction of
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
Compound characteristics
Compound ID: | T501-1350 |
Compound Name: | 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione |
Molecular Weight: | 486.57 |
Molecular Formula: | C27 H30 N6 O3 |
Smiles: | C1CC(Cc2nncn2Cc2ccccc2)CN(C1)C(CCC(N1CC(Nc2ccccc12)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7862 |
logD: | 1.7849 |
logSw: | -2.4104 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.244 |
InChI Key: | MDVCGEHIFBNRPR-OAQYLSRUSA-N |