2-({[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl}sulphanyl)-4-phenyl-6-propoxypyridine-3,5-dicarbonitrile
Basic information
- Standard SMILES
CCCOc1nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c(-c2ccccc2)c1C#N- InChIKey
MIHYBSFTSGQBKE-UHFFFAOYSA-N- Molecular formula
- C26H19ClN4OS2
- Average molar mass
- 503 g/mol
Names & identifiers
- Preferred name
- 2-({[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl}sulphanyl)-4-phenyl-6-propoxypyridine-3,5-dicarbonitrile
- IUPAC
- 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-phenyl-6-propoxypyridine-3,5-dicarbonitrile
Names & synonyms
SCHEMBL1932611MIHYBSFTSGQBKE-UHFFFAOYSA-N2-({[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl}sulphanyl)-4-phenyl-6-propoxypyridine-3,5-dicarbonitrile
Database identifiers
- PubChem CID
- 44548196
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 740
Related reactions
2 records
Compound notes
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