methyl (2Z)-5-methyl-1-oxo-2-[(quinoxalin-2-yl)methylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Chemical Structure Depiction of
methyl (2Z)-5-methyl-1-oxo-2-[(quinoxalin-2-yl)methylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
methyl (2Z)-5-methyl-1-oxo-2-[(quinoxalin-2-yl)methylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Compound characteristics
| Compound ID: | Y502-4667 |
| Compound Name: | methyl (2Z)-5-methyl-1-oxo-2-[(quinoxalin-2-yl)methylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C24 H18 N4 O4 S |
| Smiles: | CC12C(C(c3ccccc3O2)N2C(=N1)SC(=C/c1cnc3ccccc3n1)\C2=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6168 |
| logD: | 3.5364 |
| logSw: | -3.7992 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.516 |
| InChI Key: | XXGARWMOLHRDHZ-UHFFFAOYSA-N |