5-Thiazoleacetic acid, 2-(2-(4-methoxyphenyl)ethenyl)-4-(4-methylphenyl)-
Basic information
- CAS
116759-13-8- Standard SMILES
COc1ccc(/C=C/c2nc(-c3ccc(C)cc3)c(CC(=O)O)s2)cc1- InChIKey
FFYFHTQFCNTHIE-KPKJPENVSA-N- Molecular formula
- C21H19NO3S
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.10856464
Names & identifiers
- Preferred name
- 5-Thiazoleacetic acid, 2-(2-(4-methoxyphenyl)ethenyl)-4-(4-methylphenyl)-
- IUPAC
- 2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
Names & synonyms
5-Thiazoleacetic acid, 2-(2-(4-methoxyphenyl)ethenyl)-4-(4-methylphenyl)-116759-13-8RefChem:10733212-(2-(4-Methoxyphenyl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid
Database identifiers
- CAS
116759-13-8- PubChem CID
- 6450673
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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