N-[3-(methylsulfanyl)phenyl]-2-[4-oxo-1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[4-oxo-1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[4-oxo-1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F417-0588 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[4-oxo-1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl]acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CC(C)c1nnc2C(N(CC(Nc3cccc(c3)SC)=O)c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1248 |
| logD: | 3.1248 |
| logSw: | -3.4561 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.521 |
| InChI Key: | FMHKKRRHTRCUTC-UHFFFAOYSA-N |