4-((4-Phenylpiperazino)methyl)-1(2H)-phthalazinone
Basic information
- CAS
220998-76-5- Standard SMILES
O=c1[nH]nc(CN2CCN(c3ccccc3)CC2)c2ccccc12- InChIKey
JWZQAUDZLYVTOP-UHFFFAOYSA-N- Molecular formula
- C19H20N4O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.16371127
Names & identifiers
- Preferred name
- 4-((4-Phenylpiperazino)methyl)-1(2H)-phthalazinone
- IUPAC
- 4-[(4-phenylpiperazin-1-yl)methyl]-2H-phthalazin-1-one
- English name
- 4-[(4-PHENYLPIPERAZINO)METHYL]-1(2H)-PHTHALAZINONE
- Molecular formula
- C19H20N4O
- Molecular weight
- 320.39
Names & synonyms
4-((4-Phenylpiperazino)methyl)-1(2H)-phthalazinone220998-76-54-[(4-phenylpiperazin-1-yl)methyl]-2H-phthalazin-1-oneSCHEMBL5160196AKOS0050920075D-0154-[(4-phenylpiperazin-1-yl)methyl]-1,2-dihydrophthalazin-1-one4-[(4-PHENYLPIPERAZINO)METHYL]-1(2H)-PHTHALAZINONE1(2H)-Phthalazinone, 4-[(4-phenyl-1-piperazinyl)methyl]-
Database identifiers
- CAS
220998-76-5- PubChem CID
- 1478346
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 12.17 · 12.17±0.40(Predicted)
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Compound notes
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