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tert-butyl 2-[3-fluoro-4-[(6-fluoro-1H-indazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylate (HCID 71086887)|Huagongshe
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Compound
tert-butyl 2-[3-fluoro-4-[(6-fluoro-1H-indazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylate
HCID
71086887
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3n[nH]c4cc(F)ccc34)c(F)c2)C1
InChIKey
PZDTVWGSGAARIY-UHFFFAOYSA-N
Molecular formula
C23H24F2N4O4
Average molar mass
458.5 g/mol
Monoisotopic mass
458.17656158
Names & identifiers
Preferred name
tert-butyl 2-[3-fluoro-4-[(6-fluoro-1H-indazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylate
IUPAC
tert-butyl 2-[3-fluoro-4-[(6-fluoro-1H-indazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylate
Names & synonyms
SCHEMBL14150775
Database identifiers
PubChem CID
71086887
Properties
Computed structural properties
XLogP
3.3
Topological polar surface area
96.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
33
Formal charge
0
Complexity
721
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
300174
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
1123995
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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