1-[2-((3,5-Bis-trifluoromethyl-benzyl)-{2-[ethyl-(2-methoxy-ethyl)-amino]-5-trifluoromethyl-benzyl}-amino)-pyrimidin-5-yl]-piperidine-4-carboxylic acid sodium salt
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Basic information
- Standard SMILES
CCN(CCOC)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCC(C(=O)[O-])CC2)cn1.[Na+]- InChIKey
JNJGWHHCJSVCTG-UHFFFAOYSA-M- Molecular formula
- C32H33F9N5NaO3
- Average molar mass
- 729.6 g/mol
Names & identifiers
- Preferred name
- 1-[2-((3,5-Bis-trifluoromethyl-benzyl)-{2-[ethyl-(2-methoxy-ethyl)-amino]-5-trifluoromethyl-benzyl}-amino)-pyrimidin-5-yl]-piperidine-4-carboxylic acid sodium salt
- IUPAC
- sodium 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[ethyl(2-methoxyethyl)amino]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]piperidine-4-carboxylate
Names & synonyms
1-[2-((3,5-bis-trifluoromethyl-benzyl)-{2-[ethyl-(2-methoxy-ethyl)-amino]-5-trifluoromethyl-benzyl}-amino)-pyrimidin-5-yl]-piperidine-4-carboxylic acid sodium saltSCHEMBL1587749
Database identifiers
- PubChem CID
- 87263175
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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