methyl (2Z)-2-[(1-ethyl-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
methyl (2Z)-2-[(1-ethyl-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
methyl (2Z)-2-[(1-ethyl-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: | Y502-4660 |
| Compound Name: | methyl (2Z)-2-[(1-ethyl-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: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | CCn1cc(/C=C2/C(N3C4C(C(=O)OC)C(C)(N=C3S2)Oc2ccccc24)=O)cn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3217 |
| logD: | 2.1273 |
| logSw: | -2.5688 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.068 |
| InChI Key: | HNRXOMAKBFOTCZ-UHFFFAOYSA-N |