3,4-bis(Benzyloxy)-6-{2-(3-(trifluoromethoxy)phenyl)-ethynyl}pyridazine (HCID 71269879)

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Basic information

Standard SMILES: FC(F)(F)Oc1cccc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)c1
InChIKey: CFTNZDWXQSIRQQ-UHFFFAOYSA-N
Molecular formula: C27H19F3N2O3
Average molar mass: 476.4 g/mol

Names & identifiers

Preferred name: 3,4-bis(Benzyloxy)-6-{2-(3-(trifluoromethoxy)phenyl)-ethynyl}pyridazine
IUPAC: 3,4-bis(phenylmethoxy)-6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]pyridazine

Names & synonyms

3,4-bis(Benzyloxy)-6-{2-(3-(trifluoromethoxy)phenyl)-ethynyl}pyridazineSCHEMBL147185403,4-bis(benzyloxy)-6-((3(trifluoromethoxy)phenyl)ethynyl)pyridazine

Database identifiers

PubChem CID: 71269879

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 53.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 695

Related reactions

2 records

New reaction record

HRID 927091As productuspto-grants-2016_03

HRID 927145As reactantuspto-grants-2016_03

Compound notes

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