2-(4-fluorophenyl)-4-[4-(1H-imidazol-1-yl)benzoyl]morpholine

• ChemBase ID: 607010
• Molecular Formular: C20H18FN3O2
• Molecular Mass: 351.3742232
• Monoisotopic Mass: 351.13830505
• SMILES: N1(C(=O)c2ccc(n3cncc3)cc2)CC(c2ccc(cc2)F)OCC1
• Canonical SMILES: Fc1ccc(cc1)C1OCCN(C1)C(=O)c1ccc(cc1)n1cncc1
• InChI: InChI=1S/C20H18FN3O2/c21-17-5-1-15(2-6-17)19-13-23(11-12-26-19)20(25)16-3-7-18(8-4-16)24-10-9-22-14-24/h1-10,14,19H,11-13H2
• InChIKey: MOWVZFQOEAPRRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-4-[4-(1H-imidazol-1-yl)benzoyl]morpholine
• IUPAC Traditional name: 2-(4-fluorophenyl)-4-[4-(imidazol-1-yl)benzoyl]morpholine
• Synonyms: 2-(4-fluorophenyl)-4-[4-(1H-imidazol-1-yl)benzoyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2675064
• LogD (pH = 7.4): 2.7102957
• Log P: 2.7428443
• Molar Refractivity: 106.4519 cm^3
• Polarizability: 36.82161 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.76
• LOG S: -3.27
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 3