Basic information
- Standard SMILES
O=C(Cn1ncc(OCc2ccc(Cl)cn2)cc1=O)c1ccc(CBr)cc1- InChIKey
BROYWYYLNDGXTM-UHFFFAOYSA-N- Molecular formula
- C19H15BrClN3O3
- Average molar mass
- 448.7 g/mol
Names & identifiers
- Preferred name
- 2-[2-(4-Bromomethyl-phenyl)-2-oxo-ethyl]-5-(5-chloro-pyridin-2-ylmethoxy)-2H-pyridazin-3-one
- IUPAC
- 2-[2-[4-(bromomethyl)phenyl]-2-oxoethyl]-5-[(5-chloro-2-pyridinyl)methoxy]pyridazin-3-one
Names & synonyms
SCHEMBL1365095BROYWYYLNDGXTM-UHFFFAOYSA-N2-[2-(4-Bromomethyl-phenyl)-2-oxo-ethyl]-5-(5-chloro-pyridin-2-ylmethoxy)-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 58042864
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 605
Related reactions
3 records
Compound notes
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