Basic information
- Standard SMILES
COc1cc(Oc2ncc(F)cc2C(=O)NC2CCC(O)CC2)ccc1SC- InChIKey
GDMHFEWMKSJGTQ-UHFFFAOYSA-N- Molecular formula
- C20H23FN2O4S
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.13625655
Names & identifiers
- Preferred name
- 5-fluoro-N-(trans-4-hydroxy-cyclohexyl)-2-(4-methylsulfanyl-3-methoxy-phenoxy)-nicotinamide
- IUPAC
- 5-fluoro-N-(4-hydroxycyclohexyl)-2-(3-methoxy-4-methylsulfanylphenoxy)pyridine-3-carboxamide
Names & synonyms
SCHEMBL5816575SCHEMBL5816584GDMHFEWMKSJGTQ-HDJSIYSDSA-N5-fluoro-N-(trans-4-hydroxy-cyclohexyl)-2-(4-methylsulfanyl-3-methoxy-phenoxy)-nicotinamide
Database identifiers
- PubChem CID
- 21877201
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 507
Related reactions
1 records
Compound notes
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