Basic information
- CAS
306293-41-4- Standard SMILES
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1- InChIKey
RQDGBNLSKUOAJD-SFTDATJTSA-N- Molecular formula
- C28H37F3N4O2
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.28686092
Names & identifiers
- Preferred name
- Sch 350634
- IUPAC
- (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone
Names & synonyms
Sch-350634SCH 350634306293-41-4DTXSID50184687RefChem:931419Sch350634DTXCID90107178CHEMBL3222511-((2,4-Dimethyl-3-pyridinyl)carbonyl)-4-methyl-4-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)ethyl)-1-piperazinyl)piperidine N1-oxidePiperidine, 1-((2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl)-4-methyl-4-((3S)-3-methyl-4-((1S)-1-(4-(trifluoromethyl)phenyl)ethyl)-1-piperazinyl)-Piperidine, 1-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone
Show more names
SCHEMBL29394472RQDGBNLSKUOAJD-SFTDATJTSA-NBDBM50104956PD084880(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone(2,4-Dimethyl-1-oxo-1lambda~5~-pyridin-3-yl){4-methyl-4-[(3S)-3-methyl-4-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}piperazin-1-yl]piperidin-1-yl}methanone(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{(S)-3-methyl-4-[(S)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone(2,4-Dimethyl-1-oxy-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 780
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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