Basic information
- Standard SMILES
CCCCCC[C@@H](CCC)C(=O)N1CCCC(S(=O)(=O)c2cccc3ncccc23)CC1- InChIKey
WOHDYJVICCXZMS-ZMFCMNQTSA-N- Molecular formula
- C26H38N2O3S
- Average molar mass
- 458.7 g/mol
Names & identifiers
- Preferred name
- 5-({1-[(2R)-2-propyloctanoyl]azepan-4-yl}sulfonyl)quinoline
- IUPAC
- (2R)-2-propyl-1-(4-quinolin-5-ylsulfonylazepan-1-yl)octan-1-one
Names & synonyms
SCHEMBL4429539WOHDYJVICCXZMS-ZMFCMNQTSA-N5-({1-[(2R)-2-propyloctanoyl]azepan-4-yl}sulfonyl)quinoline
Database identifiers
- PubChem CID
- 69040448
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 675
Related reactions
1 records
Compound notes
Loading…