Basic information
- Standard SMILES
CC(C)(C)c1ccc(-c2c(Cc3ccccn3)cnc3c(C(F)(F)F)cccc23)cc1- InChIKey
CMIQTJLCRAYZBI-UHFFFAOYSA-N- Molecular formula
- C26H23F3N2
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- 4-(4-Tert-butylphenyl)-3-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline
- IUPAC
- 4-(4-tert-butylphenyl)-3-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline
Names & synonyms
4-(4-tert-butylphenyl)-3-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinolineSCHEMBL1124211
Database identifiers
- PubChem CID
- 66913205
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 576
Related reactions
2 records
Compound notes
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