N-(3-cyanophenyl)-2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-(3-cyanophenyl)-2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F844-0144 |
| Compound Name: | N-(3-cyanophenyl)-2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 413.44 |
| Molecular Formula: | C22 H19 N7 O2 |
| Smiles: | C1CCN(C1)C1C2=NN(CC(Nc3cccc(C#N)c3)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7013 |
| logD: | 2.7012 |
| logSw: | -3.2 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.331 |
| InChI Key: | QUIUCJCOYOWJTQ-UHFFFAOYSA-N |