Basic information
- Standard SMILES
CCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)c1c(C)cnn(-c2ccccc2)c1=O- InChIKey
ZLPDSXSTKXOFHY-UHFFFAOYSA-N- Molecular formula
- C24H30FN3O5
- Average molar mass
- 459.5 g/mol
Names & identifiers
- Preferred name
- 5-Fluoro-3-[2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-pyridazin-4-yl)-butyrylamino]-4-oxo-pentanoic acid tert-butyl ester
- IUPAC
- tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate
Names & synonyms
SCHEMBL4257234ZLPDSXSTKXOFHY-UHFFFAOYSA-N5-Fluoro-3-[2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-pyridazin-4-yl)-butyryla mino]-4-oxo-pentanoic acid tert-butyl ester5-Fluoro-3-[2-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-pyridazin-4-yl)-butyrylamino]-4-oxo-pentanoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86636498
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 824
Related reactions
1 records
Compound notes
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