6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridazine-3-carboxylic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nn1- InChIKey
YPOSWGZFHQQTIA-UHFFFAOYSA-N- Molecular formula
- C17H15N3O4
- Average molar mass
- 325.32 g/mol
Names & identifiers
- Preferred name
- 6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridazine-3-carboxylic acid methyl ester
- IUPAC
- methyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
Names & synonyms
SCHEMBL108079YPOSWGZFHQQTIA-UHFFFAOYSA-N6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridazine-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66599092
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
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Related reactions
2 records
Compound notes
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