Basic information
- Standard SMILES
COC(=O)c1nn(-c2ccc(OCc3ccccc3)cc2F)cc(OC)c1=O- InChIKey
JCLDMVZOPMWGNF-UHFFFAOYSA-N- Molecular formula
- C20H17FN2O5
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.11214981
Names & identifiers
- Preferred name
- Methyl 1-[4-(benzyloxy)-2-fluorophenyl]-5-methoxy-4-oxo-1,4-dihydropyridazine-3-carboxylate
- IUPAC
- methyl 1-(2-fluoro-4-phenylmethoxyphenyl)-5-methoxy-4-oxopyridazine-3-carboxylate
Names & synonyms
SCHEMBL519275JCLDMVZOPMWGNF-UHFFFAOYSA-NMethyl 1-[4-(benzyloxy)-2-fluorophenyl]-5-methoxy-4-oxo-1,4-dihydropyridazine-3-carboxylate
Database identifiers
- PubChem CID
- 59436166
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 645
Related reactions
11 records
Compound notes
Loading…