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Basic information
- Standard SMILES
Cc1nc2ccc(N3CC4CCC(C3)O4)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C(F)(F)F- InChIKey
KXABDZKSFXRVOX-UHFFFAOYSA-N- Molecular formula
- C25H23F3N2O4S
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.13306288
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-1-[4-(4-methanesulfonyl-phenyl)-2-methyl-6-(8-oxa-3-aza-bicyclo[3.2.1]oct-3-yl)-quinolin-3-yl]-ethanone
- IUPAC
- 2,2,2-trifluoro-1-[2-methyl-4-(4-methylsulfonylphenyl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-3-yl]ethanone
Names & synonyms
2,2,2-Trifluoro-1-[4-(4-methanesulfonyl-phenyl)-2-methyl-6-(8-oxa-3-aza-bicyclo[3.2.1]oct-3-yl)-quinolin-3-yl]-ethanoneSCHEMBL2823191
Database identifiers
- PubChem CID
- 11620362
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 887
Related reactions
2 records
Compound notes
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