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4-[3-(Stearoylamino)propylthio]pyridine (HCID 19079255)|Huagongshe
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Compound
4-[3-(Stearoylamino)propylthio]pyridine
HCID
19079255
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCSc1ccncc1
InChIKey
NFCHKFYKAPUTKB-UHFFFAOYSA-N
Molecular formula
C26H46N2OS
Average molar mass
434.7 g/mol
Names & identifiers
Preferred name
4-[3-(Stearoylamino)propylthio]pyridine
IUPAC
N-(3-pyridin-4-ylsulfanylpropyl)octadecanamide
Names & synonyms
SCHEMBL8967177
NFCHKFYKAPUTKB-UHFFFAOYSA-N
4-[3-(stearoylamino)propylthio]pyridine
Database identifiers
PubChem CID
19079255
Properties
Computed structural properties
XLogP
9.4
Topological polar surface area
67.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
21
Heavy atoms
30
Formal charge
0
Complexity
372
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Show all 8 / 8
Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
6096
As product
uspto-grants-1993_09
HRID
274637
As product
uspto-grants-1995_02
HRID
691377
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
863934
As product
uspto-grants-1996_10
HRID
964069
As product
uspto-grants-1998_06
HRID
2210104
As product
uspto-grants-1995_10
Show 2 more
Compound notes
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