methyl (2Z)-5-methyl-1-oxo-2-[(1H-pyrrol-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-[(1H-pyrrol-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-[(1H-pyrrol-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: | Y502-4675 |
| Compound Name: | methyl (2Z)-5-methyl-1-oxo-2-[(1H-pyrrol-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: | 395.44 |
| Molecular Formula: | C20 H17 N3 O4 S |
| Smiles: | CC12C(C(c3ccccc3O2)N2C(=N1)SC(=C/c1ccc[nH]1)\C2=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0475 |
| logD: | 2.9671 |
| logSw: | -3.5449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.128 |
| InChI Key: | MCXZMFUSAULPIE-UHFFFAOYSA-N |