methyl (2E)-5-methyl-2-[(4-nitrophenyl)methylidene]-1-oxo-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 (2E)-5-methyl-2-[(4-nitrophenyl)methylidene]-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
methyl (2E)-5-methyl-2-[(4-nitrophenyl)methylidene]-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Compound characteristics
| Compound ID: | 3647-1712 |
| Compound Name: | methyl (2E)-5-methyl-2-[(4-nitrophenyl)methylidene]-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C22 H17 N3 O6 S |
| Smiles: | CC12C(C(c3ccccc3O2)N2C(=N1)SC(=C\c1ccc(cc1)[N+]([O-])=O)\C2=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6718 |
| logD: | 3.4774 |
| logSw: | -4.112 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.948 |
| InChI Key: | DFOBXCXKNQINJN-UHFFFAOYSA-N |