Basic information
- Standard SMILES
N#Cc1ccc(-c2cc(COCC3(c4ccc(F)cc4Br)CCNCC3)cc(C(F)(F)F)c2)cc1- InChIKey
APNDLTSDMUJKIB-UHFFFAOYSA-N- Molecular formula
- C27H23BrF4N2O
- Average molar mass
- 547.4 g/mol
Names & identifiers
- Preferred name
- 3'-(((4-(2-Bromo-4-fluorophenyl)piperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
- IUPAC
- 4-[3-[[4-(2-bromo-4-fluorophenyl)piperidin-4-yl]methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Names & synonyms
3'-(((4-(2-bromo-4-fluorophenyl)piperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrileSCHEMBL3592506
Database identifiers
- PubChem CID
- 58993484
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 726
Related reactions
2 records
Compound notes
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