Basic information
- Standard SMILES
C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1ccccn1.O=CO- InChIKey
SQPDIOXKAVTHIB-ZOWNYOTGSA-N- Molecular formula
- C19H20F3N3O5S
- Average molar mass
- 459.4 g/mol
Names & identifiers
- Preferred name
- (2S)-2-methyl-1-(2-pyridinylcarbonyl)-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine formic acid salt
- IUPAC
- formic acid;[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
Names & synonyms
(2S)-2-methyl-1-(2-pyridinylcarbonyl)-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine formic acid saltSCHEMBL1947596
Database identifiers
- PubChem CID
- 44611963
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 667
Related reactions
1 records
Compound notes
Loading…