5-fluoro-N-(trans-4-hydroxy-cyclohexyl)-2-(4-methylsulfanyl-3-methyl-phenoxy)-nicotinamide

HCID 21877181
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Basic information

Standard SMILES
CSc1ccc(Oc2ncc(F)cc2C(=O)NC2CCC(O)CC2)cc1C
InChIKey
JLDXBTLHALJQIA-UHFFFAOYSA-N
Molecular formula
C20H23FN2O3S
Average molar mass
390.5 g/mol

Names & identifiers

Preferred name
5-fluoro-N-(trans-4-hydroxy-cyclohexyl)-2-(4-methylsulfanyl-3-methyl-phenoxy)-nicotinamide
IUPAC
5-fluoro-N-(4-hydroxycyclohexyl)-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboxamide

Names & synonyms

SCHEMBL5840058SCHEMBL5840064JLDXBTLHALJQIA-SHTZXODSSA-N5-fluoro-N-(trans-4-hydroxy-cyclohexyl)-2-(4-methylsulfanyl-3-methyl-phenoxy)-nicotinamide

Database identifiers

PubChem CID
21877181

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
96.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

Related reactions

1 records
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Compound notes

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