Basic information
- Standard SMILES
O=C(O)c1ccc(C=Cc2ccc(S(=O)Cc3ccc4ccccc4n3)cc2)cc1- InChIKey
YKHHDDPRGJTTCA-UHFFFAOYSA-N- Molecular formula
- C25H19NO3S
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.10856464
Names & identifiers
- Preferred name
- 4-(4-(2-Quinolinylmethylsulfinyl)styryl)benzoic acid
- IUPAC
- 4-[2-[4-(quinolin-2-ylmethylsulfinyl)phenyl]ethenyl]benzoic acid
Names & synonyms
SCHEMBL9030812YKHHDDPRGJTTCA-UHFFFAOYSA-N4-(4-(2-quinolinylmethylsulfinyl)-styryl)benzoic acid4-(4-(2-quinolinylmethylsulfinyl)styryl)benzoic acid
Database identifiers
- PubChem CID
- 54512756
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 620
Related reactions
8 records
Compound notes
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