Basic information
- Standard SMILES
CCSc1nc(N(C)C2CCOCC2)cc(C)c1C(=O)NCc1cccc(F)c1- InChIKey
WYCGZFMEEUUGAR-UHFFFAOYSA-N- Molecular formula
- C22H28FN3O2S
- Average molar mass
- 417.5 g/mol
Names & identifiers
- Preferred name
- 2-Ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-6-(methyl-tetrahydro-pyran-4-yl-amino)-pyridine-3-carboxylic acid amide
- IUPAC
- 2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(oxan-4-yl)amino]pyridine-3-carboxamide
Names & synonyms
SCHEMBL2128992SCHEMBL30796302WYCGZFMEEUUGAR-UHFFFAOYSA-N2-Ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-6-(methyl-tetrahydro-pyran-4-yl-amino)-pyridine-3-carboxylic acid amide
Database identifiers
- PubChem CID
- 67286945
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 520
Related reactions
4 records
Compound notes
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