N-(5-fluoro-2-methylphenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(5-fluoro-2-methylphenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-(5-fluoro-2-methylphenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F844-0409 |
| Compound Name: | N-(5-fluoro-2-methylphenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C22 H21 F N6 O2 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(N2C(C(=Nc3ccccc23)N2CCSCC2)=N1)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.441 |
| logD: | 2.4409 |
| logSw: | -2.8246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.211 |
| InChI Key: | ALECKLIADNCDQE-UHFFFAOYSA-N |