Basic information
- Standard SMILES
CSc1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CCC[C@@H](O)C2)c1- InChIKey
CZRJIDOXHBIOHL-ZIAGYGMSSA-N- Molecular formula
- C19H21FN2O3S
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.12569187
Names & identifiers
- Preferred name
- 5-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]-2-[3-(methylsulfanyl)phenoxy]nicotinamide
- IUPAC
- 5-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
Names & synonyms
SCHEMBL5751602CZRJIDOXHBIOHL-ZIAGYGMSSA-N5-fluoro-N-[(1R,3R)-3-hydroxycyclohexyl]-2-[3-(methylsulfanyl)phenoxy]nicotinamide
Database identifiers
- PubChem CID
- 58746212
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
Related reactions
1 records
Compound notes
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