Basic information
- Standard SMILES
COc1ccc(CN2CCC(F)(F)C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C2=O)c(OC)c1- InChIKey
KQOWRQKAIMBKCW-GOSISDBHSA-N- Molecular formula
- C21H23ClF2N2O5S
- Average molar mass
- 488.9 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-N-[(R)-1-(2,4-dimethoxy-benzyl)-5,5-difluoro-2-oxo-azepan-3-yl]-benzenesulfonamide
- IUPAC
- 4-chloro-N-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5,5-difluoro-2-oxoazepan-3-yl]benzenesulfonamide
Names & synonyms
4-Chloro-N-[(R)-1-(2,4-dimethoxy-benzyl)-5,5-difluoro-2-oxo-azepan-3-yl]-benzenesulfonamideSCHEMBL3390532
Database identifiers
- PubChem CID
- 57589904
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 743
Related reactions
1 records
Compound notes
Loading…