3-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide

HCID 5226071

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Basic information

CAS: 6331-32-4
Standard SMILES: CC(=NNC(=O)c1sc2cc(F)ccc2c1Cl)c1cc(Cl)sc1Cl
InChIKey: VXKVIAMGORYARK-UHFFFAOYSA-N
Molecular formula: C15H8Cl3FN2OS2
Average molar mass: 421.7 g/mol
Monoisotopic mass: 419.912766

Names & identifiers

Preferred name: 3-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide
IUPAC: 3-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-6-fluoro-1-benzothiophene-2-carboxamide

Names & synonyms

6331-32-43-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-6-fluoro-1-benzothiophene-2-carboxamideDTXSID804114383-Chloro-N'-[1-(2,5-dichlorothiophen-3-yl)ethylidene]-6-fluoro-1-benzothiophene-2-carbohydrazide

Database identifiers

CAS: 6331-32-4
PubChem CID: 5226071
DTXSID: DTXSID80411438

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 97.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 527

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