methyl (2E)-2-[(3-iodophenyl)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)-2-[(3-iodophenyl)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)-2-[(3-iodophenyl)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: | 2914-0297 |
| Compound Name: | methyl (2E)-2-[(3-iodophenyl)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: | 532.36 |
| Molecular Formula: | C22 H17 I N2 O4 S |
| Smiles: | CC12C(C(c3ccccc3O2)N2C(=N1)SC(=C\c1cccc(c1)I)\C2=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6647 |
| logD: | 4.4703 |
| logSw: | -4.6966 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.567 |
| InChI Key: | DASNBTKJDYFXCB-UHFFFAOYSA-N |