Basic information
- Standard SMILES
CC(Oc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)C2=O)cc1)C(F)(F)F- InChIKey
OVHFUPUZMSXFLW-UHFFFAOYSA-N- Molecular formula
- C24H24F6N2O4S
- Average molar mass
- 550.5 g/mol
Names & identifiers
- Preferred name
- 8-(2-Trifluoromethyl-benzenesulfonyl)-2-[4-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-2,8-diaza-spiro[4.5]decan-1-one
- IUPAC
- 8-[2-(trifluoromethyl)phenyl]sulfonyl-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
8-(2-Trifluoromethyl-benzenesulfonyl)-2-[4-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-2,8-diaza-spiro[4.5]decan-1-oneSCHEMBL3739013
Database identifiers
- PubChem CID
- 59577924
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 919
Related reactions
1 records
Compound notes
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