Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate

HCID 147368

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Basic information

CAS: 31136-67-1
Standard SMILES: CCCCCCOC(=O)c1cc(N=Cc2ccc([N+](=O)[O-])o2)c(NC(C)=O)o1
InChIKey: OJZLOEDTKKHMCA-UHFFFAOYSA-N
Molecular formula: C18H21N3O7
Average molar mass: 391.4 g/mol
Monoisotopic mass: 391.13795002

Names & identifiers

Preferred name: Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate
IUPAC: hexyl 5-acetamido-4-[(5-nitrofuran-2-yl)methylideneamino]furan-2-carboxylate

Names & synonyms

Hexyl 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-2-furancarboxylate31136-67-12-Furancarboxylic acid, 5-(acetylamino)-4-(((5-nitro-2-furanyl)methylene)amino)-, hexyl ester

Database identifiers

CAS: 31136-67-1
PubChem CID: 147368

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 140 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 28
Formal charge: 0
Complexity: 578

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