N-(3-cyanophenyl)-2-{1-oxo-4-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-{1-oxo-4-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
N-(3-cyanophenyl)-2-{1-oxo-4-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F842-0376 |
| Compound Name: | N-(3-cyanophenyl)-2-{1-oxo-4-[4-(propan-2-yl)phenoxy][1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}acetamide |
| Molecular Weight: | 478.51 |
| Molecular Formula: | C27 H22 N6 O3 |
| Smiles: | CC(C)c1ccc(cc1)OC1C2=NN(CC(Nc3cccc(C#N)c3)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8921 |
| logD: | 4.8921 |
| logSw: | -4.5487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.97 |
| InChI Key: | PLIMSQPWUHDBPR-UHFFFAOYSA-N |