1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-phenylpiperazine

• ChemBase ID: 618552
• Molecular Formular: C20H19FN2O2
• Molecular Mass: 338.3754632
• Monoisotopic Mass: 338.14305608
• SMILES: c1(oc2c(c1C)cccc2F)C(=O)N1CCN(CC1)c1ccccc1
• Canonical SMILES: O=C(c1oc2c(c1C)cccc2F)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C20H19FN2O2/c1-14-16-8-5-9-17(21)19(16)25-18(14)20(24)23-12-10-22(11-13-23)15-6-3-2-4-7-15/h2-9H,10-13H2,1H3
• InChIKey: SQFJMVDPGBPJCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-phenylpiperazine
• IUPAC Traditional name: 1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-phenylpiperazine
• Synonyms: 1-[(7-fluoro-3-methyl-1-benzofuran-2-yl)carbonyl]-4-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7410963
• LogD (pH = 7.4): 3.74468
• Log P: 3.744726
• Molar Refractivity: 95.4546 cm^3
• Polarizability: 36.33801 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.21
• LOG S: -5.18
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 2