N-(3-chloro-4-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-(3-chloro-4-methylphenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
N-(3-chloro-4-methylphenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | F844-0403 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C(N2C(C(=Nc3ccccc23)N2CCSCC2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9089 |
| logD: | 3.9088 |
| logSw: | -4.1459 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.909 |
| InChI Key: | HSLWMERHVMAXPZ-UHFFFAOYSA-N |