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N'-[3'-bromo-7'-(2-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-2-yl]-N,N-dimethylmethanimidamide (HCID 178484252)|Huagongshe
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Compound
N'-[3'-bromo-7'-(2-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-2-yl]-N,N-dimethylmethanimidamide
HCID
178484252
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CN(C)C=NC1=NC2(CCO1)c1cc(-c3cccnc3F)ccc1Oc1ncc(Br)cc12
InChIKey
FBYFIIIAGFKAAN-UHFFFAOYSA-N
Molecular formula
C23H19BrFN5O2
Average molar mass
496.3 g/mol
Monoisotopic mass
495.07062
Names & identifiers
IUPAC
N'-[3'-bromo-7'-(2-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-2-yl]-N,N-dimethylmethanimidamide
Database identifiers
PubChem CID
77292153
Properties
Computed structural properties
XLogP
4
Topological polar surface area
72.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
32
Formal charge
0
Complexity
739
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Related reactions
1 records
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As product
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As solvent
HRID
2349274
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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