(2E)-13-acetyl-2-[(1-ethyl-1H-pyrazol-3-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-[(1-ethyl-1H-pyrazol-3-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-[(1-ethyl-1H-pyrazol-3-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: | Y508-4548 |
| Compound Name: | (2E)-13-acetyl-2-[(1-ethyl-1H-pyrazol-3-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | CCn1ccc(\C=C2/C(N3C4C(C(C)=O)C(C)(N=C3S2)Oc2ccccc24)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3732 |
| logD: | 2.3518 |
| logSw: | -2.6335 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.1 |
| InChI Key: | XCMWWRWNKMTSRB-UHFFFAOYSA-N |