Basic information
- Standard SMILES
COc1ccc(-c2nn(CC(C)C)c(=O)c(C#N)c2-c2ccc(OC)cc2)cc1- InChIKey
HSYYHTNYBGQQFG-UHFFFAOYSA-N- Molecular formula
- C23H23N3O3
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.1739416
Names & identifiers
- Preferred name
- 5,6-bis(4-Methoxyphenyl)-4-cyano-2-isobutyl-2H-pyridazin-3-one
- IUPAC
- 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbonitrile
Names & synonyms
SCHEMBL6260233HSYYHTNYBGQQFG-UHFFFAOYSA-N5,6-bis(4-Methoxyphenyl)-4-cyano-2-isobutyl-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 15518508
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 702
Related reactions
2 records
Compound notes
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