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3-(1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide (HCID 67053345)|Huagongshe
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Compound
3-(1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide
HCID
67053345
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COCC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2cnc(C)cn2)c1
InChIKey
YLSJWVQMXSNSQT-UHFFFAOYSA-N
Molecular formula
C23H25N3O4
Average molar mass
407.5 g/mol
Monoisotopic mass
407.18450629
Names & identifiers
Preferred name
3-(1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide
IUPAC
3-(1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide
Names & synonyms
SCHEMBL1493779
Database identifiers
PubChem CID
67053345
Properties
Computed structural properties
XLogP
3.1
Topological polar surface area
82.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
30
Formal charge
0
Complexity
515
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
111669
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
309379
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
957798
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
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