Basic information
- Standard SMILES
CSc1cccc(Oc2ncccc2C(=O)N[C@H]2CCCC[C@H]2O)c1- InChIKey
LLZBXPPYDVQLTJ-DLBZAZTESA-N- Molecular formula
- C19H22N2O3S
- Average molar mass
- 358.5 g/mol
Names & identifiers
- Preferred name
- N-[(1 S,2R)-2-hydroxycyclohexyl]-2-[3-(methylsulfanyl)phenoxy]nicotinamide
- IUPAC
- N-[(1S,2R)-2-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
Names & synonyms
SCHEMBL5748277LLZBXPPYDVQLTJ-DLBZAZTESA-NN-[(1 S,2R)-2-hydroxycyclohexyl]-2-[3-(methylsulfanyl)phenoxy]nicotinamide
Database identifiers
- PubChem CID
- 58746211
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Related reactions
1 records
Compound notes
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