Basic information
- Standard SMILES
COc1ccc(C=Cc2ccc3c(=O)n(CCN(C(C)C)C(C)C)ncc3c2)cc1- InChIKey
LIFCETHULOJKMH-UHFFFAOYSA-N- Molecular formula
- C25H31N3O2
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.24162724
Names & identifiers
- Preferred name
- 2-[2-[Di(propan-2-yl)amino]ethyl]-6-[2-(4-methoxyphenyl)ethenyl]phthalazin-1-one
- IUPAC
- 2-[2-[di(propan-2-yl)amino]ethyl]-6-[2-(4-methoxyphenyl)ethenyl]phthalazin-1-one
Database identifiers
- PubChem CID
- 54034857
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 600
Related reactions
1 records
Compound notes
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