(2E)-13-acetyl-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Chemical Structure Depiction of
(2E)-13-acetyl-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
(2E)-13-acetyl-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Compound characteristics
| Compound ID: | Y501-9829 |
| Compound Name: | (2E)-13-acetyl-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | CC(C1C2c3ccccc3OC1(C)N=C1N2C(/C(=C\c2c(C)nn(c3ccccc3)c2C)S1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9203 |
| logD: | 3.8635 |
| logSw: | -4.1821 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.637 |
| InChI Key: | WEYZYSPRJBBHPC-UHFFFAOYSA-N |