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N-[2-(3,4-dimethoxyphenyl)-2-methylsulfanylethyl]-3-pyridin-3-ylprop-2-enamide

HCID 69689281
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(CNC(=O)C=Cc2cccnc2)SC)cc1OC
InChIKey
ANDOWHLKLCXCMP-UHFFFAOYSA-N
Molecular formula
C19H22N2O3S
Average molar mass
358.5 g/mol

Names & identifiers

Preferred name
N-[2-(3,4-dimethoxyphenyl)-2-methylsulfanylethyl]-3-pyridin-3-ylprop-2-enamide
IUPAC
N-[2-(3,4-dimethoxyphenyl)-2-methylsulfanylethyl]-3-pyridin-3-ylprop-2-enamide

Names & synonyms

SCHEMBL6167680

Database identifiers

PubChem CID
69689281

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
85.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
25
Formal charge
0
Complexity
433

Related reactions

1 records
New reaction record
HRID 1549970 reaction equation
HRID 1549970As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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