Basic information
- Standard SMILES
CCCCN(Cc1ccc(OCC(=O)OCC)c(C)c1)c1nccc(-c2ccc(C(F)(F)F)cc2)n1- InChIKey
LOXMDJKCIXUBLA-UHFFFAOYSA-N- Molecular formula
- C27H30F3N3O3
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.22392631
Names & identifiers
- Preferred name
- Ethyl {4-[(butyl{4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl}amino)methyl]-2-methylphenoxy}acetate
- IUPAC
- ethyl 2-[4-[[butyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate
Names & synonyms
Ethyl {4-[(butyl{4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl}amino)methyl]-2-methylphenoxy}acetateSCHEMBL14526070
Database identifiers
- PubChem CID
- 58622848
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 658
Related reactions
1 records
Compound notes
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