N-[3-(methylsulfanyl)phenyl]-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-(methylsulfanyl)phenyl]-2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F844-0186 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[1-oxo-4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C22 H22 N6 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(N2C(C(=Nc3ccccc23)N2CCCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3013 |
| logD: | 3.3013 |
| logSw: | -3.7949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.274 |
| InChI Key: | YSHNXMOVOCDGDF-UHFFFAOYSA-N |