1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
Basic information
- Standard SMILES
O=C1CCC(=O)N1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1- InChIKey
YXJULXMYNWRFRN-UHFFFAOYSA-N- Molecular formula
- C19H15N3O3
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.11134135
Names & identifiers
- Preferred name
- 1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
- IUPAC
- 1-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrrolidine-2,5-dione
Names & synonyms
SCHEMBL3387621
Database identifiers
- PubChem CID
- 9840598
- ChEMBL
CHEMBL195402
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 599
Related reactions
1 records
Compound notes
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