ethyl (2E)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)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
ethyl (2E)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)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
ethyl (2E)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)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: | Y501-9799 |
| Compound Name: | ethyl (2E)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)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: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | CCn1c(C)c(\C=C2/C(N3C4C(C(=O)OCC)C(C)(N=C3S2)Oc2ccccc24)=O)c(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1604 |
| logD: | 2.7594 |
| logSw: | -3.4122 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.424 |
| InChI Key: | RWVCRHKASXVSNZ-UHFFFAOYSA-N |