Basic information
- Standard SMILES
CC[C@H](C[C@@](O)(C=Nc1cccc2c(=O)[nH]ccc12)C(F)(F)F)c1ccc(F)c(C)c1OC- InChIKey
AGAWDNJQNYWRBG-IQMFZBJNSA-N- Molecular formula
- C24H24F4N2O3
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.17230528
Names & identifiers
- Preferred name
- 5-{[(2R,4R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino}isoquinolin-1(2H)-one
- IUPAC
- 5-[[(2R,4R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino]-2H-isoquinolin-1-one
Names & synonyms
5-{[(2R,4R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino}isoquinolin-1(2H)-oneSCHEMBL1261231SCHEMBL12612335-{[(2R,4R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino}isoquinolin -1 (2H)-one5-{[(2R,4R)-4-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxy-2-(trifluoromethyl)hexylidene]amino}isoquinolin-1 (2H)-one
Database identifiers
- PubChem CID
- 66969326
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 744
Related reactions
1 records
Compound notes
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