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Basic information
- Standard SMILES
CCC(=O)N1C[C@@H]2C[C@@H](c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)[C@@H]2C1- InChIKey
JVHCIXDLSVIEQZ-RYGJVYDSSA-N- Molecular formula
- C22H23F3N2O4S
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.13306288
Names & identifiers
- Preferred name
- N-[4-((1R,5S,6R)-3-Propionyl-3-aza-bicyclo[3.2.0]hept-6-yl)-phenyl]-4-trifluoromethoxy-benzenesulfonamide
- IUPAC
- N-[4-[(1R,5S,6R)-3-propanoyl-3-azabicyclo[3.2.0]heptan-6-yl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
Names & synonyms
N-[4-((1R,5S,6R)-3-Propionyl-3-aza-bicyclo[3.2.0]hept-6-yl)-phenyl]-4-trifluoromethoxy-benzenesulfonamideSCHEMBL2330589N-[4-((1R,5S,6R)-3-propionyl-3-azabicyclo[3.2.0]hept-6-yl)-phenyl]-4-trifluoromethoxy-benzenesulfonamide
Database identifiers
- PubChem CID
- 67366262
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 769
Related reactions
2 records
Compound notes
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