(2E)-2-[(1-ethyl-1H-pyrazol-3-yl)methylidene]-5-methyl-N-(2-methylphenyl)-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide
Chemical Structure Depiction of
(2E)-2-[(1-ethyl-1H-pyrazol-3-yl)methylidene]-5-methyl-N-(2-methylphenyl)-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide
(2E)-2-[(1-ethyl-1H-pyrazol-3-yl)methylidene]-5-methyl-N-(2-methylphenyl)-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide
Compound characteristics
| Compound ID: | Y508-4549 |
| Compound Name: | (2E)-2-[(1-ethyl-1H-pyrazol-3-yl)methylidene]-5-methyl-N-(2-methylphenyl)-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | CCn1ccc(\C=C2/C(N3C4C(C(Nc5ccccc5C)=O)C(C)(N=C3S2)Oc2ccccc24)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5792 |
| logD: | 3.5786 |
| logSw: | -3.8514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.666 |
| InChI Key: | QWCQXKFCBOZEKJ-UHFFFAOYSA-N |