Basic information
- Standard SMILES
COC(=O)c1ccc2nc(OS(=O)(=O)C(F)(F)F)c(N(C)[C@@H](C)c3ccccc3)nc2c1- InChIKey
GOKNHXXOSPKVJQ-LBPRGKRZSA-N- Molecular formula
- C20H18F3N3O5S
- Average molar mass
- 469.4 g/mol
- Monoisotopic mass
- 469.09192634
Names & identifiers
- Preferred name
- (S)-methyl 3-(methyl(1-phenylethyl)amino)-2-(trifluoromethylsulfonyloxy)quinoxaline-6-carboxylate
- IUPAC
- methyl 3-[methyl-[(1S)-1-phenylethyl]amino]-2-(trifluoromethylsulfonyloxy)quinoxaline-6-carboxylate
Names & synonyms
(S)-methyl 3-(methyl(1-phenylethyl)amino)-2-(trifluoromethylsulfonyloxy)quinoxaline-6-carboxylateSCHEMBL12100881
Database identifiers
- PubChem CID
- 86670575
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 755
Related reactions
2 records
Compound notes
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