3-(4-Methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile
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Basic information
- CAS
338751-62-5- Standard SMILES
COc1ccc(Oc2nnc(-c3ccccc3)cc2C#N)cc1- InChIKey
GSTMKQUKSPNAOA-UHFFFAOYSA-N- Molecular formula
- C18H13N3O2
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 303.10077667
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile
- IUPAC
- 3-(4-methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile
- English name
- 3-(4-METHOXYPHENOXY)-6-PHENYL-4-PYRIDAZINECARBONITRILE
- Molecular formula
- C18H13N3O2
- Molecular weight
- 303.31
Names & synonyms
3-(4-methoxyphenoxy)-6-phenylpyridazine-4-carbonitrile338751-62-53-(4-methoxyphenoxy)-6-phenyl-4-pyridazinecarbonitrileOprea1_255160MLS000326095CHEMBL1604380SCHEMBL30271448HMS2280A03MFCD00794591AKOS005092135SMR000170257VU0208647-3
Show more names
4-Pyridazinecarbonitrile, 3-(4-methoxyphenoxy)-6-phenyl-
5D-0293-(4-methoxyphenoxy)-6-phenyl-pyridazine-4-carbonitrile
Database identifiers
- CAS
338751-62-5- PubChem CID
- 6404525
- ChEMBL
CHEMBL1604380
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 518.5 · 518.5±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- -1.33 · -1.33±0.10(Predicted)
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Compound notes
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