Basic information
- Standard SMILES
COc1ccc2nccc([C@H](NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]3CC4CCN3CC4)c2c1- InChIKey
BXSDLQNPMOXZJN-ZEQRLZLVSA-N- Molecular formula
- C27H26F6N4O2
- Average molar mass
- 552.5 g/mol
Names & identifiers
- Preferred name
- 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-(6-methoxy-4-quinolyl)-[(2S)-quinuclidin-2-yl]methyl]urea
- IUPAC
- 1-[(S)-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
Names & synonyms
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-(6-methoxy-4-quinolyl)-[(2S)-quinuclidin-2-yl]methyl]ureaSCHEMBL14856084
Database identifiers
- PubChem CID
- 86695993
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 827
Related reactions
1 records
Compound notes
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