Basic information
- Standard SMILES
COc1ccc2cc(-c3nc(-c4ccc(C(=O)O)cc4)cc(SC)c3C#N)ccc2c1- InChIKey
ARCPTIWKNDOHHY-UHFFFAOYSA-N- Molecular formula
- C25H18N2O3S
- Average molar mass
- 426.5 g/mol
Names & identifiers
- Preferred name
- 4-(5-Cyano-6-(6-methoxynaphthalen-2-yl)-4-(methylthio)pyridin-2-yl)benzoic acid
- IUPAC
- 4-[5-cyano-6-(6-methoxynaphthalen-2-yl)-4-methylsulfanyl-2-pyridinyl]benzoic acid
Names & synonyms
SCHEMBL1162862ARCPTIWKNDOHHY-UHFFFAOYSA-N4-(5-cyano-6-(6-methoxynaphthalen-2-yl)-4-(methylthio)pyridin-2-yl)benzoic acid
Database identifiers
- PubChem CID
- 66926973
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 671
Related reactions
1 records
Compound notes
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