Tert-butyl 2-[4-[2-[[2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]-1-(4-fluoroanilino)-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]phenoxy]acetate

HCID 91048653
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Basic information

Standard SMILES
CC1(C)COC(CSC(C(=O)N2C(=O)OCC2c2ccccc2)C(Nc2ccc(F)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)(c2ccc3c(c2)OCO3)OC1
InChIKey
QIUJXXXXGVRIPB-UHFFFAOYSA-N
Molecular formula
C44H47FN2O10S
Average molar mass
814.9 g/mol
Monoisotopic mass
814.29354504

Names & identifiers

Preferred name
Tert-butyl 2-[4-[2-[[2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]-1-(4-fluoroanilino)-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]phenoxy]acetate
IUPAC
tert-butyl 2-[4-[2-[[2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methylsulfanyl]-1-(4-fluoroanilino)-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]phenoxy]acetate

Database identifiers

PubChem CID
91048653

Properties

Computed structural properties

XLogP
8.6
Topological polar surface area
156 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
15
Heavy atoms
58

Related reactions

2 records
New reaction record

Compound notes

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