Basic information
- Standard SMILES
COc1ccc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n(CC(C)C)n2)cc1F- InChIKey
DLQZGAXOCPYBAQ-UHFFFAOYSA-N- Molecular formula
- C25H35FN4O4
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methoxyphenyl)-2-isobutyl-2H-pyridazin-3-one
- IUPAC
- tert-butyl 4-[[6-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL1924689DLQZGAXOCPYBAQ-UHFFFAOYSA-N4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fl uoro-4-methoxyphenyl)-2-isobutyl-2H-pyridazin-3-one4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methoxyphenyl)-2-isobutyl-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991609
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 799
Related reactions
2 records
Compound notes
Loading…