Basic information
- Standard SMILES
CCCCN(CC)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)[O-])cn1.[Na+]- InChIKey
FPNDBQLROOHDSF-UHFFFAOYSA-M- Molecular formula
- C31H32F9N4NaO3
- Average molar mass
- 702.6 g/mol
Names & identifiers
- Preferred name
- 4-(2-{(3,5-Bis-trifluoromethyl-benzyl)-[2-(butyl-ethyl-amino)-5-trifluoromethyl-benzyl]-amino}-pyrimidin-5-yloxy)-butyric acid sodium salt
- IUPAC
- sodium 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[butyl(ethyl)amino]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoate
Names & synonyms
4-(2-{(3,5-bis-trifluoromethyl-benzyl)-[2-(butyl-ethyl-amino)-5-trifluoromethyl-benzyl]-amino}-pyrimidin-5-yloxy)-butyric acid sodium saltSCHEMBL1587613
Database identifiers
- PubChem CID
- 87263151
Properties
Computed structural properties
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 15
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 930
Related reactions
1 records
Compound notes
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