methyl (2E,5RS)-2-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-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,5RS)-2-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
methyl (2E,5RS)-2-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-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: | 8015-2831 |
| Compound Name: | methyl (2E,5RS)-2-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C24 H22 N2 O6 S |
| Smiles: | C[C@]12C(C(c3ccccc3O2)N2C(=N1)SC(=C\c1ccc(c(c1)OC)OC)\C2=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3447 |
| logD: | 3.1504 |
| logSw: | -3.7442 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.827 |
| InChI Key: | WRPMUSKKLWYKDI-IMQCZEGASA-N |