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Basic information
- Standard SMILES
CNCC=CCOCC1CCC(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1- InChIKey
UYBBYADRPZVQLN-UHFFFAOYSA-N- Molecular formula
- C21H31F3N2O3S
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.20074851
Names & identifiers
- Preferred name
- N-methyl-N-[[4-[4-(methylamino)but-2-enoxymethyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
- IUPAC
- N-methyl-N-[[4-[4-(methylamino)but-2-enoxymethyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
Names & synonyms
SCHEMBL6018595SCHEMBL6018599
Database identifiers
- PubChem CID
- 69638331
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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