Basic information
- Standard SMILES
C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccncc1.O=C(O)C(F)(F)F- InChIKey
JJWIYEIBSQDVAQ-MERQFXBCSA-N- Molecular formula
- C19H15F6N3O6S
- Average molar mass
- 527.4 g/mol
Names & identifiers
- Preferred name
- (s)-5-Methyl-1-pyrid-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate
- IUPAC
- (5S)-5-methyl-1-(pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
Names & synonyms
(s)-5-methyl-1-pyrid-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetateSCHEMBL3727904
Database identifiers
- PubChem CID
- 10346809
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 792
Related reactions
2 records
Compound notes
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