Basic information
- Standard SMILES
COc1c(F)cccc1C(C)CC(O)(C=Nc1cccc2nc(C)ccc12)C(F)(F)F- InChIKey
MHLILYLTANBBAL-UHFFFAOYSA-N- Molecular formula
- C23H22F4N2O2
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.1617406
Names & identifiers
- Preferred name
- 4-(3-Fluoro-2-methoxyphenyl)-1-[(2-methylquinolin-5-yl)imino]-2-(trifluoromethyl)pentan-2-ol
- IUPAC
- 1,1,1-trifluoro-4-(3-fluoro-2-methoxyphenyl)-2-[(2-methylquinolin-5-yl)iminomethyl]pentan-2-ol
Names & synonyms
4-(3-fluoro-2-methoxyphenyl)-1-[(2-methylquinolin-5-yl)imino]-2-(trifluoromethyl)pentan-2-olSCHEMBL1261629SCHEMBL1261630SCHEMBL1261631
Database identifiers
- PubChem CID
- 66969475
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 617
Related reactions
3 records
Compound notes
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