Basic information
- Standard SMILES
CC(C)(C)CC(=O)N1CCC(c2ccc(COc3ccc(S(C)(=O)=O)cc3)nc2)CC1- InChIKey
SPALECZXNXZNSY-UHFFFAOYSA-N- Molecular formula
- C24H32N2O4S
- Average molar mass
- 444.6 g/mol
Names & identifiers
- Preferred name
- 1-[4-[2-(4-Methanesulfonylphenoxymethyl)pyridin-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
- IUPAC
- 3,3-dimethyl-1-[4-[6-[(4-methylsulfonylphenoxy)methyl]-3-pyridinyl]piperidin-1-yl]butan-1-one
Names & synonyms
SCHEMBL1577745SPALECZXNXZNSY-UHFFFAOYSA-N1-[4-[2-(4-Methanesulfonylphenoxymethyl)pyridin-5-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
Database identifiers
- PubChem CID
- 67083243
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
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