Basic information
- Standard SMILES
C=Cc1cccc(Nc2ncc(Cl)c(Nc3cccc(C=C)c3)n2)c1.O=C(O)C(F)(F)F- InChIKey
RKTGCYRSKOBABL-UHFFFAOYSA-N- Molecular formula
- C22H18ClF3N4O2
- Average molar mass
- 462.8 g/mol
- Monoisotopic mass
- 462.107038
Names & identifiers
- Preferred name
- 5-Chloro-N,N'-bis(3-vinylphenyl)pyrimidine-2,4-diamine Trifluoroacetate
- IUPAC
- 5-chloro-2-N,4-N-bis(3-ethenylphenyl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
Names & synonyms
5-Chloro-N,N'-bis(3-vinylphenyl)pyrimidine-2,4-diamine TrifluoroacetateSCHEMBL1023352
Database identifiers
- PubChem CID
- 66879698
Properties
Computed structural properties
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
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