Basic information
- Standard SMILES
CCOC(=O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1- InChIKey
VFCZIKKZPRGJDX-UHFFFAOYSA-N- Molecular formula
- C20H16F3N3O2
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.11946125
Names & identifiers
- Preferred name
- Ethyl 3'-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}biphenyl-4-carboxylate
- IUPAC
- ethyl 4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoate
Names & synonyms
ethyl 3'-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}biphenyl-4-carboxylateSCHEMBL15569905
Database identifiers
- PubChem CID
- 90041226
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 509
Related reactions
2 records
Compound notes
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