methyl (2E)-5-methyl-1-oxo-2-{[4-(propan-2-yl)phenyl]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 (2E)-5-methyl-1-oxo-2-{[4-(propan-2-yl)phenyl]methylidene}-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
methyl (2E)-5-methyl-1-oxo-2-{[4-(propan-2-yl)phenyl]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: | 3454-0333 |
| Compound Name: | methyl (2E)-5-methyl-1-oxo-2-{[4-(propan-2-yl)phenyl]methylidene}-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C25 H24 N2 O4 S |
| Smiles: | CC(C)c1ccc(\C=C2/C(N3C4C(C(=O)OC)C(C)(N=C3S2)Oc2ccccc24)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0843 |
| logD: | 4.89 |
| logSw: | -4.9826 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.567 |
| InChI Key: | CVQRHMLKWFJPEG-UHFFFAOYSA-N |