N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

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Basic information

CAS: 1029014-82-1
Standard SMILES: CCOc1ccc(/C=N/NC(=O)CSc2ccccn2)cc1O
InChIKey: AVDRYEPOPWFEDG-VCHYOVAHSA-N
Molecular formula: C16H17N3O3S
Average molar mass: 331.4 g/mol
Monoisotopic mass: 331.09906259

Names & identifiers

Preferred name: N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
IUPAC: N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

Names & synonyms

1029014-82-1N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamideMLS000777057CHEMBL3208563DTXSID101323696STK840735AKOS005625541SMR000413440SR-01000216064SR-01000216064-1(E)-N'-(4-ethoxy-3-hydroxybenzylidene)-2-(pyridin-2-ylthio)acetohydrazideN'-[(E)-(4-ethoxy-3-hydroxyphenyl)methylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide

Show more names

N'-[(E)-(4-Ethoxy-3-hydroxyphenyl)methylidene]-2-[(pyridin-2-yl)sulfanyl]acetohydrazide(Pyridin-2-ylsulfanyl)-acetic acid [1-(4-ethoxy-3-hydroxy-phenyl)-meth-(E)-ylidene]-hydrazide

Database identifiers

CAS: 1029014-82-1
PubChem CID: 5335876
DTXSID: DTXSID101323696
ChEMBL: CHEMBL3208563

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 395

Experimental & physicochemical properties

Solubility40.6 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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