Basic information
- Standard SMILES
Cc1nc2cccc(N)c2cc1C(c1cccc2c1OC(C)(C)C2)C1(C(F)(F)F)CO1- InChIKey
GOUUASCWGOYRJM-UHFFFAOYSA-N- Molecular formula
- C24H23F3N2O2
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.17116247
Names & identifiers
- Preferred name
- 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-[2-(trifluoromethyl)oxiran-2-yl]methyl]-2-methylquinolin-5-amine
- IUPAC
- 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-[2-(trifluoromethyl)oxiran-2-yl]methyl]-2-methylquinolin-5-amine
Names & synonyms
SCHEMBL1728374GOUUASCWGOYRJM-UHFFFAOYSA-N3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-[2-(trifluoromethyl)oxiran-2-yl]methyl]-2-methylquinolin-5-amine
Database identifiers
- PubChem CID
- 86618232
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 686
Related reactions
2 records
Compound notes
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