Basic information
- Standard SMILES
Cc1ccc(OCC(=O)N2C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]2C)c(CCC(=O)NS(C)(=O)=O)n1- InChIKey
DBQMGMZYPHSGES-RBUKOAKNSA-N- Molecular formula
- C25H33FN4O5S
- Average molar mass
- 520.6 g/mol
Names & identifiers
- Preferred name
- N-[3-(3-{2-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-6-methyl-pyridin-2-yl)-propionyl]-methanesulfonamide
- IUPAC
- 3-[3-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-6-methyl-2-pyridinyl]-N-methylsulfonylpropanamide
Names & synonyms
SCHEMBL6077444DBQMGMZYPHSGES-RBUKOAKNSA-NN-[3-(3-{2-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-6-methyl-pyridin-2-yl)-propionyl]-methanesulfonamide
Database identifiers
- PubChem CID
- 69655779
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 846
Related reactions
1 records
Compound notes
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