2D Chemical StructureDatabase ID 72063439
No renderable structure data available
SMILES
CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=C(CC(=O)O)C4=NC5=CC=CC=C5S4Structure data verified · Database ID 72063439
Chemical Intermediate
3-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]but-3-enoic acid
CAS 1011421-12-7Product ID 674934
| Intermediates | 3-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]but-3-enoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 1011421-12-7 |
| Database ID | 72063439 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]but-3-enoic acid
3-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]but-3-enoic acid (CAS 1011421-12-7) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1011421-12-7
Database ID72063439
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 72063439
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=C(CC(=O)O)C4=NC5=CC=CC=C5S4
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 1011421-12-73-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]but-3-enoic acid
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