N-((1S)-(6-Methoxyquinolin-4-yl)((8R)-8-vinylquinuclidin-2-yl)methyl)-4-methylbenzenesulfonamide
Basic information
- CAS
200944-17-8- Standard SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccnc2ccc(OC)cc12- InChIKey
YKOSPGWUDKNTOV-GQHLQYEBSA-N- Molecular formula
- C27H31N3O3S
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.20861303
Names & identifiers
- Preferred name
- N-((1S)-(6-Methoxyquinolin-4-yl)((8R)-8-vinylquinuclidin-2-yl)methyl)-4-methylbenzenesulfonamide
- IUPAC
- N-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]-4-methylbenzenesulfonamide
- English name
- N-((1S)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)-4-methylbenzenesulfonamide
- Molecular formula
- C27H31N3O3S
- Molecular weight
- 477.62
Names & synonyms
200944-17-8N-((S)-(6-Methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)-4-methylbenzenesulfonamideN-((1S)-(6-Methoxyquinolin-4-yl)((8R)-8-vinylquinuclidin-2-yl)methyl)-4-methylbenzenesulfonamideN-((1S)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)-4-methylbenzenesulfonamideN -[(8α,9S )-6′-Methoxycinchonan-9-yl]-4- methylbenzenesulfonamideBenzenesulfonamide, N-[(8α,9S)-6'-methoxycinchonan-9-yl]-4-methyl-
Database identifiers
- CAS
200944-17-8- PubChem CID
- 44640146
- Nikkaji
- J3.336.252H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 806
Physicochemical properties
- Melting point
- 71 °C · 71 °C
- Boiling point
- 644.9 · 644.9±65.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 7.81 · 7.81±0.50(Predicted)
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Compound notes
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