Basic information
- Standard SMILES
COC(=O)COc1cccc(CCn2nc(-c3ccccc3)c(-c3ccccc3)cc2=O)c1- InChIKey
ATMKOUABYHCFMR-UHFFFAOYSA-N- Molecular formula
- C27H24N2O4
- Average molar mass
- 440.5 g/mol
Names & identifiers
- Preferred name
- Methyl [3-[2-(1,6-dihydro-6-oxo-3,4-diphenyl-1-pyridazinyl)ethyl]phenoxyacetate]
- IUPAC
- methyl 2-[3-[2-(6-oxo-3,4-diphenylpyridazin-1-yl)ethyl]phenoxy]acetate
Names & synonyms
ATMKOUABYHCFMR-UHFFFAOYSA-Nmethyl [3-[2-(1,6-dihydro-6-oxo-3,4-diphenyl-1-pyridazinyl)ethyl]phenoxyacetate]
Database identifiers
- PubChem CID
- 15734802
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 734
Related reactions
2 records
Compound notes
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