methyl 4-{2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate
methyl 4-{2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F844-0381 |
| Compound Name: | methyl 4-{2-[1-oxo-4-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C23 H22 N6 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C(C(=Nc3ccccc23)N2CCSCC2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6094 |
| logD: | 2.6094 |
| logSw: | -3.0849 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.082 |
| InChI Key: | VLRDBKHEUOYKQR-UHFFFAOYSA-N |