N'-{[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylene}-3-methyl-2-furohydrazide

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Basic information

CAS: 329778-09-8
Standard SMILES: Cc1ccoc1C(=O)NN=Cc1ccc(SC2CCCCC2)c([N+](=O)[O-])c1
InChIKey: ZYZKWEJUYHOQJY-UHFFFAOYSA-N
Molecular formula: C19H21N3O4S
Average molar mass: 387.5 g/mol
Monoisotopic mass: 387.12527733

Names & identifiers

Preferred name: N'-{[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylene}-3-methyl-2-furohydrazide
IUPAC: N-[(4-cyclohexylsulfanyl-3-nitrophenyl)methylideneamino]-3-methylfuran-2-carboxamide

Names & synonyms

DTXSID001124229N'-{[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylene}-3-methyl-2-furohydrazideAKOS0302532933-Methyl-2-furancarboxylic acid 2-[[4-(cyclohexylthio)-3-nitrophenyl]methylene]hydrazideN'-{[4-(Cyclohexylsulfanyl)-3-nitrophenyl]methylidene}-3-methylfuran-2-carbohydrazide

Database identifiers

CAS: 329778-09-8
PubChem CID: 1269486
DTXSID: DTXSID001124229

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 126 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 548

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Compound notes

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