5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-
Basic information
- CAS
116759-22-9- Standard SMILES
COc1cc(/C=C/c2nc(-c3ccc(Br)cc3)c(CC(=O)O)s2)cc(OC)c1OC- InChIKey
VEAGIVHULRHJTI-RUDMXATFSA-N- Molecular formula
- C22H20BrNO5S
- Average molar mass
- 490.4 g/mol
- Monoisotopic mass
- 489.02456
Names & identifiers
- Preferred name
- 5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-
- IUPAC
- 2-[4-(4-bromophenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Names & synonyms
5-Thiazoleacetic acid, 4-(4-bromophenyl)-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-116759-22-9RefChem:10733254-(4-Bromophenyl)-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-5-thiazoleacetic acid
Database identifiers
- CAS
116759-22-9- PubChem CID
- 6450682
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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