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1-[[3-bromo-5-(2,4-dichlorophenyl)-6-methoxypyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (HCID 22147394)|Huagongshe
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Compound
1-[[3-bromo-5-(2,4-dichlorophenyl)-6-methoxypyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
HCID
22147394
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COc1nc(NC2c3ccccc3CC2O)c(Br)nc1-c1ccc(Cl)cc1Cl
InChIKey
UGVHSTLRFKUMLG-UHFFFAOYSA-N
Molecular formula
C20H16BrCl2N3O2
Average molar mass
481.2 g/mol
Names & identifiers
Preferred name
1-[[3-bromo-5-(2,4-dichlorophenyl)-6-methoxypyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
IUPAC
1-[[3-bromo-5-(2,4-dichlorophenyl)-6-methoxypyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
Database identifiers
PubChem CID
22147394
Properties
Computed structural properties
XLogP
5.3
Topological polar surface area
67.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Formal charge
0
Complexity
534
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
95843
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
98583
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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