Basic information
- Standard SMILES
CC1(C)OCc2cc([C@@H]3CN(CCCCCCOCCOCc4cccc(SC5CCCC5)c4)C(=O)O3)ccc2O1- InChIKey
BNQOGGXGUCZIIS-HKBQPEDESA-N- Molecular formula
- C33H45NO6S
- Average molar mass
- 583.8 g/mol
- Monoisotopic mass
- 583.29675933
Names & identifiers
- Preferred name
- (5R)-3-[6-(2-{[3-(cyclopentylthio)benzyl]oxy}ethoxy)hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
- IUPAC
- (5R)-3-[6-[2-[(3-cyclopentylsulfanylphenyl)methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
Names & synonyms
SCHEMBL925392BNQOGGXGUCZIIS-HKBQPEDESA-N(5R)-3-[6-(2-{[3-(cyclopentylthio)benzyl]oxy}ethoxy)hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one
Database identifiers
- PubChem CID
- 66845210
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 792
Related reactions
7 records
Compound notes
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