4-(4-(Benzyloxy)phenyl)-3-butyl-6-chloropyridazine

HCID 71303089

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCc1nnc(Cl)cc1-c1ccc(OCc2ccccc2)cc1
InChIKey: PDBVYXMZYLCJCM-UHFFFAOYSA-N
Molecular formula: C21H21ClN2O
Average molar mass: 352.9 g/mol

Names & identifiers

Preferred name: 4-(4-(Benzyloxy)phenyl)-3-butyl-6-chloropyridazine
IUPAC: 3-butyl-6-chloro-4-(4-phenylmethoxyphenyl)pyridazine

Names & synonyms

4-(4-(benzyloxy)phenyl)-3-butyl-6-chloropyridazine1331775-12-2SCHEMBL2352787PDBVYXMZYLCJCM-UHFFFAOYSA-NDB-3668054-(4-benzyloxy-phenyl)-3-butyl-6-chloro-pyridazine

Database identifiers

PubChem CID: 71303089

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 35 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 367

Related reactions

39 records

New reaction record

HRID 110491As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 193020As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 297168As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 401863As productuspto-grants-2014_06

HRID 401864As reactantuspto-grants-2014_06

HRID 401867As reactantuspto-grants-2014_06

HRID 401870As reactantuspto-grants-2014_06

HRID 401872As reactantuspto-grants-2014_06

Compound notes

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