Stk013421

HCID 5342575

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Basic information

CAS: 5760-75-8
Standard SMILES: COc1ccc(C/C(N)=N/OC(=O)c2ccco2)cc1OC
InChIKey: JCCLICNLXSQJGA-UHFFFAOYSA-N
Molecular formula: C15H16N2O5
Average molar mass: 304.3 g/mol
Monoisotopic mass: 304.10592162

Names & identifiers

Preferred name: Stk013421
IUPAC: [(Z)-[1-amino-2-(3,4-dimethoxyphenyl)ethylidene]amino] furan-2-carboxylate

Names & synonyms

STK0134215760-75-8DTXSID50417083RefChem:382055DTXCID903679322-(3,4-dimethoxyphenyl)-N'-(2-furoyloxy)ethanimidamideMLS000711351CHEMBL1708058HMS2655B08(1Z)-2-(3,4-dimethoxyphenyl)-N'-[(furan-2-ylcarbonyl)oxy]ethanimidamide[(Z)-[1-amino-2-(3,4-dimethoxyphenyl)ethylidene]amino] furan-2-carboxylateAKOS000609116

Show more names

SMR000281118BIM-0032097.P001ST50251948AB00096064-01AG-670/11977067(1Z)-(3,4-Dimethoxyphenyl)-N'-[(furan-2-carbonyl)oxy]ethanimidamide(1Z)-2-amino-3-(3,4-dimethoxyphenyl)-1-azaprop-1-enyl furan-2-carboxylate

Database identifiers

CAS: 5760-75-8
PubChem CID: 5342575
DTXSID: DTXSID50417083
ChEMBL: CHEMBL1708058

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 96.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 401

Experimental & physicochemical properties

Solubility>45.6 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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