Basic information
- CAS
155998-80-4- Standard SMILES
O=c1c2ccccc2c(Cc2ccc(F)cc2)nn1C1CCN(CCCc2ccc(F)cc2)CC1- InChIKey
ZFGYXDLULSPZCM-UHFFFAOYSA-N- Molecular formula
- C29H29F2N3O
- Average molar mass
- 473.6 g/mol
- Monoisotopic mass
- 473.22786888
Names & identifiers
- Preferred name
- 4-((4-Fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)-propyl)-4-piperidinyl)-1(2H)-phthalazinone
- IUPAC
- 4-[(4-fluorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]piperidin-4-yl]phthalazin-1-one
Names & synonyms
OWUOHF5SE9UNII-OWUOHF5SE94-((4-Fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)-propyl)-4-piperidinyl)-1(2H)-phthalazinone155998-80-41(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)-4-piperidinyl)-
Database identifiers
- CAS
155998-80-4- PubChem CID
- 60434
- UNII
- OWUOHF5SE9
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 721
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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