Basic information
- Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ncc(Cl)cc1CC(=O)NS(C)(=O)=O- InChIKey
ZYRLSHDWENZTDU-JKSUJKDBSA-N- Molecular formula
- C23H28ClFN4O5S
- Average molar mass
- 527 g/mol
Names & identifiers
- Preferred name
- N-[(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-pyridin-3-yl)-acetyl]-methanesulfonamide
- IUPAC
- 2-[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]-N-methylsulfonylacetamide
Names & synonyms
SCHEMBL6077058ZYRLSHDWENZTDU-JKSUJKDBSA-NN-[(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-pyridin-3-yl)-acetyl]-methanesulfonamide
Database identifiers
- PubChem CID
- 69655650
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 836
Related reactions
1 records
Compound notes
Loading…