N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-4-(1H-imidazol-1-yl)-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 510804
• Molecular Formular: C31H27FN4O2
• Molecular Mass: 506.5700832
• Monoisotopic Mass: 506.21180434
• SMILES: N(C(=O)c1ccc(n2cncc2)cc1)(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1cccc(c1)CN(C(=O)c1ccc(cc1)n1ccnc1)Cc1ccncc1
• InChI: InChI=1S/C31H27FN4O2/c32-28-8-4-24(5-9-28)14-19-38-30-3-1-2-26(20-30)22-36(21-25-12-15-33-16-13-25)31(37)27-6-10-29(11-7-27)35-18-17-34-23-35/h1-13,15-18,20,23H,14,19,21-22H2
• InChIKey: AFPBNHGKFBKGFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-4-(1H-imidazol-1-yl)-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-4-(imidazol-1-yl)-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-4-(1H-imidazol-1-yl)-N-(4-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.6789064
• LogD (pH = 7.4): 5.2296734
• Log P: 5.2638416
• Molar Refractivity: 155.9937 cm^3
• Polarizability: 55.738552 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.4
• LOG S: -7.41
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 10