2-heptan-4-yl-N-[3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-1-oxo-3H-isoindole-4-carboxamide
Basic information
- Standard SMILES
CCCC(CCC)N1Cc2c(C(=O)NC(Cc3ccccc3)C(O)CNCc3cccc(C(F)(F)F)c3)cccc2C1=O- InChIKey
QMBFDCLFCRLRIF-UHFFFAOYSA-N- Molecular formula
- C34H40F3N3O3
- Average molar mass
- 595.7 g/mol
- Monoisotopic mass
- 595.30217663
Names & identifiers
- Preferred name
- 2-heptan-4-yl-N-[3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-1-oxo-3H-isoindole-4-carboxamide
- IUPAC
- 2-heptan-4-yl-N-[3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-1-oxo-3H-isoindole-4-carboxamide
Database identifiers
- PubChem CID
- 74428601
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 875
Related reactions
1 records
Compound notes
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