N-[3-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F844-0418 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C22 H22 N6 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1C(N2C(C(=Nc3ccccc23)N2CCSCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9796 |
| logD: | 2.9796 |
| logSw: | -3.4818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.909 |
| InChI Key: | LBFRGFOJCMVRLV-UHFFFAOYSA-N |