Basic information
- Standard SMILES
CC1(C)OCc2cc([C@@H]3CN(CCCCCCOCCCCc4cccc(S(=O)(=O)C5CCCC5)c4)C(=O)O3)ccc2O1- InChIKey
PYUXBFJOTIARFT-YTTGMZPUSA-N- Molecular formula
- C34H47NO7S
- Average molar mass
- 613.8 g/mol
- Monoisotopic mass
- 613.30732401
Names & identifiers
- Preferred name
- (5R)-3-(6-{4-[3-(Cyclopentylsulfonyl)phenyl]butoxy}hexyl)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
- IUPAC
- (5R)-3-[6-[4-(3-cyclopentylsulfonylphenyl)butoxy]hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
Names & synonyms
SCHEMBL4627349PYUXBFJOTIARFT-YTTGMZPUSA-N(5R)-3-(6-{4-[3-(Cyclopentylsulfonyl)phenyl]butoxy}hexyl)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
Database identifiers
- PubChem CID
- 69119376
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 976
Related reactions
2 records
Compound notes
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