Basic information
- Standard SMILES
CCCC(CCC)N1CCc2c(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CNC3(c4cccc(C(F)(F)F)c4)CC3)cc(Cl)cc2C1=O- InChIKey
SHMOXBAMIDLPSM-UHFFFAOYSA-N- Molecular formula
- C37H41ClF5N3O3
- Average molar mass
- 706.2 g/mol
- Monoisotopic mass
- 705.2756607
Names & identifiers
- Preferred name
- 7-chloro-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-2-heptan-4-yl-1-oxo-3,4-dihydroisoquinoline-5-carboxamide
- IUPAC
- 7-chloro-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-2-heptan-4-yl-1-oxo-3,4-dihydroisoquinoline-5-carboxamide
Database identifiers
- PubChem CID
- 74428811
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
1 records
Compound notes
Loading…