N-(2-bromophenyl)-2-[1-oxo-4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(2-bromophenyl)-2-[1-oxo-4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-(2-bromophenyl)-2-[1-oxo-4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
Compound ID: | F844-0014 |
Compound Name: | N-(2-bromophenyl)-2-[1-oxo-4-(piperidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
Molecular Weight: | 481.35 |
Molecular Formula: | C22 H21 Br N6 O2 |
Smiles: | C1CCN(CC1)C1C2=NN(CC(Nc3ccccc3[Br])=O)C(N2c2ccccc2N=1)=O |
Stereo: | ACHIRAL |
logP: | 3.3566 |
logD: | 3.3566 |
logSw: | -3.5369 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.211 |
InChI Key: | DIFSBXKZQOLPHH-UHFFFAOYSA-N |