N-(3-cyanophenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-(3-cyanophenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F844-0376 |
| Compound Name: | N-(3-cyanophenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C22 H19 N7 O2 S |
| Smiles: | C1CSCCN1C1C2=NN(CC(Nc3cccc(C#N)c3)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3796 |
| logD: | 2.3796 |
| logSw: | -2.9692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.965 |
| InChI Key: | DUSDGCLMJJECMC-UHFFFAOYSA-N |