Basic information
- Standard SMILES
COc1ccc(C2=NNC(=O)C3CC=CCC23)cc1OC- InChIKey
MRBFFQVXMIGKST-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3
- Average molar mass
- 286.33 g/mol
- Monoisotopic mass
- 286.13174244
Names & identifiers
- Preferred name
- 4-(3,4-Dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
- IUPAC
- 4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
Names & synonyms
CHEMBL3130414-(3,4-Dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-onephthalazinone, 19SCHEMBL2690038BDBM30126MRBFFQVXMIGKST-UHFFFAOYSA-NPD090511
Database identifiers
- PubChem CID
- 22337182
- ChEMBL
CHEMBL313041
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
Related reactions
1 records
Compound notes
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