Basic information
- Standard SMILES
CC(C)Oc1ccc(S(C)(=O)=O)c(OC(C)C)c1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2F)CC1- InChIKey
LIOXVXGEQIYICL-UHFFFAOYSA-N- Molecular formula
- C25H33FN2O7S2
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 556.17132191
Names & identifiers
- Preferred name
- (2,6-Diisopropoxy-3-methanesulfonyl-phenyl)-[4-(2-fluoro-4-methanesulfonyl-phenyl)-piperazin-1-yl]-methanone
- IUPAC
- [4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-[3-methylsulfonyl-2,6-di(propan-2-yloxy)phenyl]methanone
Names & synonyms
SCHEMBL4419994LIOXVXGEQIYICL-UHFFFAOYSA-N(2,6-diisopropoxy-3-methanesulfonyl-phenyl)-[4-(2-fluoro-4-methanesulfonyl-phenyl)-piperazin-1-yl]-methanone
Database identifiers
- PubChem CID
- 69036671
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 985
Related reactions
2 records
Compound notes
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