Basic information
- Standard SMILES
CCCCCCC1C[C@H]([C@H]2OC(C)(C)N(C(C)=O)[C@H]2Cc2cc(F)cc(F)c2)N(C(=O)OC(C)(C)C)C1- InChIKey
IJIPCKBGDPBXLJ-RIGVENDESA-N- Molecular formula
- C29H44F2N2O4
- Average molar mass
- 522.7 g/mol
- Monoisotopic mass
- 522.32691421
Names & identifiers
- Preferred name
- (r)-2-[(4s,5s)-3-Acetyl-4-(3,5-difluoro-benzyl)-2,2-dimethyl-oxazolidin-5-yl]-4-hexyl-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R)-2-[(4S,5S)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-5-yl]-4-hexylpyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL3857326IJIPCKBGDPBXLJ-RIGVENDESA-N(r)-2-[(4s,5s)-3-acetyl-4-(3,5-difluoro-benzyl)-2,2-dimethyl-oxazolidin-5-yl]-4-hexyl-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68815992
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 776
Related reactions
1 records
Compound notes
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