5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-chlorophenyl)-
Basic information
- CAS
116759-26-3- Standard SMILES
O=C(O)Cc1sc(/C=C/c2ccc3c(c2)OCO3)nc1-c1ccc(Cl)cc1- InChIKey
CSHWUZXLULVSRR-KRXBUXKQSA-N- Molecular formula
- C20H14ClNO4S
- Average molar mass
- 399.8 g/mol
- Monoisotopic mass
- 399.0332068
Names & identifiers
- Preferred name
- 5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-chlorophenyl)-
- IUPAC
- 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
Names & synonyms
5-Thiazoleacetic acid, 2-(2-(1,3-benzodioxol-5-yl)ethenyl)-4-(4-chlorophenyl)-116759-26-3RefChem:10732972-(2-(1,3-Benzodioxol-5-yl)ethenyl)-4-(4-chlorophenyl)-5-thiazoleacetic acid
Database identifiers
- CAS
116759-26-3- PubChem CID
- 6450686
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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