Basic information
- Standard SMILES
COC(=O)[C@H](C)Nc1cc(C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.O=C(O)C(F)(F)F- InChIKey
PVFVCRMNLPAVDX-YDALLXLXSA-N- Molecular formula
- C23H19F4N3O7
- Average molar mass
- 525.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-(4-(4-fluorophenoxy)phenyl)-6-((1-methoxy-1-oxopropan-2-yl)amino) pyrimidine-4-carboxylic acid trifluoroacetic acid salt
- IUPAC
- 2-[4-(4-fluorophenoxy)phenyl]-6-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]pyrimidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
Names & synonyms
(S)-2-(4-(4-fluorophenoxy)phenyl)-6-((1-methoxy-1-oxopropan-2-yl)amino) pyrimidine-4-carboxylic acid trifluoroacetic acid saltSCHEMBL14743786
Database identifiers
- PubChem CID
- 71283605
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 662
Related reactions
1 records
Compound notes
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