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3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-(1-methylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide (HCID 67053369)|Huagongshe
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Compound
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-(1-methylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide
HCID
67053369
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)nc3)cc(OC3CCOC3)c2)n1
InChIKey
VUNFXTHGIDEEAX-UHFFFAOYSA-N
Molecular formula
C24H25N5O5
Average molar mass
463.5 g/mol
Monoisotopic mass
463.18556891
Names & identifiers
Preferred name
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-(1-methylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide
IUPAC
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-(1-methylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide
Names & synonyms
SCHEMBL1493861
Database identifiers
PubChem CID
67053369
Properties
Computed structural properties
XLogP
1.8
Topological polar surface area
108 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
34
Formal charge
0
Complexity
722
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Related reactions
1 records
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As solvent
HRID
2145006
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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