Basic information
- Standard SMILES
CC1CC(OS(C)(=O)=O)CN1C(=O)CNC(=O)c1cccc(C(F)(F)F)c1- InChIKey
MZKLTFSHJUPYOT-UHFFFAOYSA-N- Molecular formula
- C16H19F3N2O5S
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.09667737
Names & identifiers
- Preferred name
- [5-Methyl-1-[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]pyrrolidin-3-yl] methanesulfonate
- IUPAC
- [5-methyl-1-[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]pyrrolidin-3-yl] methanesulfonate
Names & synonyms
SCHEMBL4338124
Database identifiers
- PubChem CID
- 76614971
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 662
Related reactions
1 records
Compound notes
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