1-[4-(furan-2-yl)benzoyl]-4-(4-methoxyphenyl)-2-methylpiperazine

• ChemBase ID: 374956
• Molecular Formular: C23H24N2O3
• Molecular Mass: 376.44826
• Monoisotopic Mass: 376.17869264
• SMILES: N1(C(=O)c2ccc(c3occc3)cc2)C(CN(c2ccc(cc2)OC)CC1)C
• Canonical SMILES: COc1ccc(cc1)N1CCN(C(C1)C)C(=O)c1ccc(cc1)c1ccco1
• InChI: InChI=1S/C23H24N2O3/c1-17-16-24(20-9-11-21(27-2)12-10-20)13-14-25(17)23(26)19-7-5-18(6-8-19)22-4-3-15-28-22/h3-12,15,17H,13-14,16H2,1-2H3
• InChIKey: RULSFUUMQBHFMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(furan-2-yl)benzoyl]-4-(4-methoxyphenyl)-2-methylpiperazine
• IUPAC Traditional name: 1-[4-(furan-2-yl)benzoyl]-4-(4-methoxyphenyl)-2-methylpiperazine
• Synonyms: 1-[4-(2-furyl)benzoyl]-4-(4-methoxyphenyl)-2-methylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9563959
• LogD (pH = 7.4): 3.9756033
• Log P: 3.9758537
• Molar Refractivity: 109.8875 cm^3
• Polarizability: 42.714947 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.41
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4