1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
Basic information
- CAS
320418-04-0- Standard SMILES
c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1- InChIKey
PMNLMFUHSIYHHB-UHFFFAOYSA-N- Molecular formula
- C25H24N4
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.20009678
Names & identifiers
- Preferred name
- 1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
- IUPAC
- 1-benzyl-4-(4-phenylpiperazin-1-yl)phthalazine
- English name
- 1-Benzyl-4-(4-phenylpiperazino)phthalazine
- Molecular formula
- C25H24N4
- Molecular weight
- 380.48
Names & synonyms
1-Benzyl-4-(4-phenylpiperazin-1-yl)phthalazine320418-04-0CHEMBL4960131-(Phenylmethyl)-4-(4-phenyl-1-piperazinyl)phthalazine1-benzyl-4-(4-phenylpiperazino)phthalazine5MPX2BH85KOprea1_653246SCHEMBL13444952DTXSID201209996BDBM50269040AKOS005082019PD179524
Show more names
1E-0991-(Phenylmethyl)-4-(4-phenylpiperazin-1-yl)phthalazinePhthalazine, 1-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)-
Database identifiers
- CAS
320418-04-0- PubChem CID
- 6404568
- DTXSID
DTXSID201209996- ChEMBL
CHEMBL496013- UNII
- 5MPX2BH85K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 630.6 · 630.6±55.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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