2-({[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl}sulphanyl)-6-[(1-methylpyrrolidin-3-yl)oxy]-4-phenylpyridine-3,5-dicarbonitrile
Basic information
- Standard SMILES
CN1CCC(Oc2nc(SCc3csc(-c4ccc(Cl)cc4)n3)c(C#N)c(-c3ccccc3)c2C#N)C1- InChIKey
XVEYQBCMZLZXNG-UHFFFAOYSA-N- Molecular formula
- C28H22ClN5OS2
- Average molar mass
- 544.1 g/mol
Names & identifiers
- Preferred name
- 2-({[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl}sulphanyl)-6-[(1-methylpyrrolidin-3-yl)oxy]-4-phenylpyridine-3,5-dicarbonitrile
- IUPAC
- 2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-6-(1-methylpyrrolidin-3-yl)oxy-4-phenylpyridine-3,5-dicarbonitrile
Names & synonyms
SCHEMBL1933439XVEYQBCMZLZXNG-UHFFFAOYSA-N2-({[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl}sulphanyl)-6-[(1-methylpyrrolidin-3-yl)oxy]-4-phenylpyridine-3,5-dicarbonitrile
Database identifiers
- PubChem CID
- 44548710
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 848
Related reactions
2 records
Compound notes
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