Ethanone, 1-(5-(3,4-dimethylphenyl)-2-thienyl)-, O-(2-(diethylamino)ethyl)oxime

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Basic information

CAS: 93599-25-8
Standard SMILES: CCN(CC)CCO/N=C(\C)c1ccc(-c2ccc(C)c(C)c2)s1
InChIKey: GVVTXVNIEIDFQC-HEHNFIMWSA-N
Molecular formula: C20H28N2OS
Average molar mass: 344.5 g/mol
Monoisotopic mass: 344.19223469

Names & identifiers

Preferred name: Ethanone, 1-(5-(3,4-dimethylphenyl)-2-thienyl)-, O-(2-(diethylamino)ethyl)oxime
IUPAC: 2-[(E)-1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethylideneamino]oxy-N,N-diethylethanamine

Names & synonyms

ETHANONE, 1-(5-(3,4-DIMETHYLPHENYL)-2-THIENYL)-, O-(2-(DIETHYLAMINO)ETHYL)OXIME93599-25-8RefChem:1084554BRN 44969661-(5-(3,4-Dimethylphenyl)-2-thienyl)ethanone O-(2-(diethylamino)ethyl)oxime

Database identifiers

CAS: 93599-25-8
PubChem CID: 9570907

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 53.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 397

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Compound notes

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