Basic information
- Standard SMILES
COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N2CCC(O)(c3cccnc3)CC2)c(C)c1- InChIKey
OZQNLTLXNIIFMW-UHFFFAOYSA-N- Molecular formula
- C26H35N3O6S
- Average molar mass
- 517.6 g/mol
Names & identifiers
- Preferred name
- 1-(4-Hydroxy-4-(pyridin-3-yl)piperidin-1-yl)-2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)methoxy)ethanone
- IUPAC
- 1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]ethanone
Names & synonyms
SCHEMBL3818678OZQNLTLXNIIFMW-UHFFFAOYSA-N1-(4-Hydroxy-4-(pyridin-3-yl)piperidin-1-yl)-2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)methoxy)ethanone
Database identifiers
- PubChem CID
- 59820083
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 829
Related reactions
2 records
Compound notes
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