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methyl 5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (HCID 178500418)|Huagongshe
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Compound
methyl 5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
HCID
178500418
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Basic information
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Basic information
Standard SMILES
COC(=O)C(CCC(=O)c1ccc(OCc2ccccc2F)cc1F)NC(=O)OC(C)(C)C
InChIKey
JTRVRFJFYSFAES-UHFFFAOYSA-N
Molecular formula
C24H27F2NO6
Average molar mass
463.5 g/mol
Monoisotopic mass
463.18064391
Names & identifiers
IUPAC
methyl 5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
Database identifiers
PubChem CID
72335480
Properties
Computed structural properties
XLogP
4.2
Topological polar surface area
90.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
33
Formal charge
0
Complexity
668
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1 records
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As solvent
HRID
2313720
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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