methyl (2Z)-5-methyl-1-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)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 (2Z)-5-methyl-1-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
methyl (2Z)-5-methyl-1-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)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: | Y502-7006 |
| Compound Name: | methyl (2Z)-5-methyl-1-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | Cc1c(/C=C2/C(N3C4C(C(=O)OC)C(C)(N=C3S2)Oc2ccccc24)=O)c(C)n(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2162 |
| logD: | 2.0218 |
| logSw: | -2.6115 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.406 |
| InChI Key: | QWJJUGWLQHRWNT-UHFFFAOYSA-N |