N-[(Z)-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide

HCID 5347173

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Basic information

CAS: 6054-32-6
Standard SMILES: CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccco3)c2C)cc1
InChIKey: HNGWZGJBJQAMJK-BKUYFWCQSA-N
Molecular formula: C20H21N3O2
Average molar mass: 335.4 g/mol
Monoisotopic mass: 335.16337692

Names & identifiers

Preferred name: N-[(Z)-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide
IUPAC: N-[(Z)-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamide

Names & synonyms

6054-32-6N-[(Z)-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]furan-2-carboxamideN'-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-furohydrazideZINC00448573DTXSID90417406AKOS003231439BIM-0042901.P001N'-{(Z)-[1-(4-Ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}furan-2-carbohydrazide

Database identifiers

CAS: 6054-32-6
PubChem CID: 5347173
DTXSID: DTXSID90417406

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 59.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 474

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