Basic information
- Standard SMILES
CC(C)(O)c1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)C2=O)cc1- InChIKey
PSYZQKKGZOSPMM-UHFFFAOYSA-N- Molecular formula
- C24H27F3N2O4S
- Average molar mass
- 496.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-8-(2-trifluoromethyl-benzenesulfonyl)-2,8-diaza-spiro[4.5]decan-1-one
- IUPAC
- 2-[4-(2-hydroxypropan-2-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-1-one
Names & synonyms
2-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-8-(2-trifluoromethyl-benzenesulfonyl)-2,8-diaza-spiro[4.5]decan-1-oneSCHEMBL746101
Database identifiers
- PubChem CID
- 59577891
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 854
Related reactions
2 records
Compound notes
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