Basic information
- CAS
55902-24-4- Standard SMILES
CC(Cc1ccccc1)N(C)C(=O)Cn1nc(-c2ccc(Oc3ccccc3)cc2)ccc1=O- InChIKey
BCABAYVTWNPFSI-UHFFFAOYSA-N- Molecular formula
- C28H27N3O3
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.20524173
Names & identifiers
- Preferred name
- L-N-Methyl-N-alpha-methylphenethyl-6-oxo-3-(4-phenoxyphenyl)-1-(6H)-pyridazineacetamide
- IUPAC
- N-methyl-2-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]-N-(1-phenylpropan-2-yl)acetamide
- English name
- (-)-N-Methyl-N-(α-methylphenethyl)-6-oxo-3-(4-phenoxyphenyl)-1(6H)-pyridazineacetamide
- Molecular formula
- C28H27N3O3
- Molecular weight
- 453.53
Names & synonyms
55902-24-4BRN 0862976L-N-Methyl-N-alpha-methylphenethyl-6-oxo-3-(4-phenoxyphenyl)-1-(6H)-pyridazineacetamideDTXSID109713181(6H)-Pyridazineacetamide, N-methyl-N-alpha-methylphenethyl-6-oxo-3-(4-phenoxyphenyl)-, L-N-Methyl-2-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1(6H)-yl]-N-(1-phenylpropan-2-yl)acetamide(-)-N-Methyl-N-(α-methylphenethyl)-6-oxo-3-(4-phenoxyphenyl)-1(6H)-pyridazineacetamide1(6H)-Pyridazineacetamide, N-methyl-N-(1-methyl-2-phenylethyl)-6-oxo-3-(4-phenoxyphenyl)-, (-)-
Database identifiers
- CAS
55902-24-4- PubChem CID
- 44144591
- DTXSID
DTXSID10971318- Nikkaji
- J78.814G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 744
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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