Basic information
- Standard SMILES
CS(=O)(=O)Nc1c(F)cc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2N2CCOCC2)cc1C(F)(F)F- InChIKey
KVQUFVYEWOLUKM-UHFFFAOYSA-N- Molecular formula
- C22H21F7N4O4S
- Average molar mass
- 570.5 g/mol
- Monoisotopic mass
- 570.11717347
Names & identifiers
- Preferred name
- N-[[3-fluoro-4-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methyl]-3-[2-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
- IUPAC
- N-[[3-fluoro-4-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methyl]-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
Names & synonyms
SCHEMBL3777609KVQUFVYEWOLUKM-UHFFFAOYSA-NN-[[3-fluoro-4-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methyl]-3-[2-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
Database identifiers
- PubChem CID
- 72335652
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 935
Related reactions
1 records
Compound notes
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