Ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-4-ylpyridine-3-carboxylate
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Basic information
- CAS
664974-00-9- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)nc(SCC)c(C#N)c1-c1ccncc1- InChIKey
GFDFTYVEMYUBJL-UHFFFAOYSA-N- Molecular formula
- C22H19N3O2S
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.11979803
Names & identifiers
- Preferred name
- Ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-4-ylpyridine-3-carboxylate
- IUPAC
- ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-4-ylpyridine-3-carboxylate
- English name
- ethyl 5-cyano-6-(ethylsulfanyl)-2-phenyl-4,4'-bipyridine-3-carboxylate
- Molecular formula
- C22H19N3O2S
- Molecular weight
- 389.47016
Names & synonyms
ethyl 5-cyano-6-(ethylsulfanyl)-2-phenyl-4,4'-bipyridine-3-carboxylateethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-4-ylpyridine-3-carboxylateAK-454/41565615
Database identifiers
- CAS
664974-00-9- PubChem CID
- 1215189
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
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Compound notes
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