2-Benzyl-4-(4-bromophenyl)phthalazin-1-one
Basic information
- CAS
354782-96-0- Standard SMILES
O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1Cc1ccccc1- InChIKey
MRKMVAONNYWIQV-UHFFFAOYSA-N- Molecular formula
- C21H15BrN2O
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 390.03678
Names & identifiers
- Preferred name
- 2-Benzyl-4-(4-bromophenyl)phthalazin-1-one
- IUPAC
- 2-benzyl-4-(4-bromophenyl)phthalazin-1-one
- English name
- 2-benzyl-4-(4-bromophenyl)-1(2H)-phthalazinone
- Molecular formula
- C21H15BrN2O
- Molecular weight
- 391.2606
Names & synonyms
2-benzyl-4-(4-bromophenyl)-1(2H)-phthalazinone2-benzyl-4-(4-bromophenyl)phthalazin-1-oneOprea1_086817MLS000545800CHEMBL1418074HMS2182K04SMR000161028AN-829/14134005
Database identifiers
- CAS
354782-96-0- PubChem CID
- 1022213
- ChEMBL
CHEMBL1418074
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
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Compound notes
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