Basic information
- Standard SMILES
N#Cc1cnc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1C1CCCCO1- InChIKey
FDURSJUVNQXRCO-UHFFFAOYSA-N- Molecular formula
- C22H17ClN4OS2
- Average molar mass
- 453 g/mol
Names & identifiers
- Preferred name
- Rac-2-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}thio)-4-(tetrahydro-2h-pyran-2-yl)pyridine-3,5-dicarbonitrile
- IUPAC
- 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(oxan-2-yl)pyridine-3,5-dicarbonitrile
Names & synonyms
SCHEMBL3574634FDURSJUVNQXRCO-UHFFFAOYSA-Nrac-2-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}thio)-4-(tetrahydro-2h-pyran-2-yl)pyridine-3,5-dicarbonitrile
Database identifiers
- PubChem CID
- 24959787
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 671
Related reactions
1 records
Compound notes
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