4-{2-[4-(benzyloxy)-3-fluorophenyl]pyridine-4-carbonyl}morpholine

• ChemBase ID: 430756
• Molecular Formular: C23H21FN2O3
• Molecular Mass: 392.4228432
• Monoisotopic Mass: 392.15362076
• SMILES: C(=O)(N1CCOCC1)c1cc(c2cc(c(OCc3ccccc3)cc2)F)ncc1
• Canonical SMILES: Fc1cc(ccc1OCc1ccccc1)c1nccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C23H21FN2O3/c24-20-14-18(6-7-22(20)29-16-17-4-2-1-3-5-17)21-15-19(8-9-25-21)23(27)26-10-12-28-13-11-26/h1-9,14-15H,10-13,16H2
• InChIKey: JNOORKNUGMLOED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[4-(benzyloxy)-3-fluorophenyl]pyridine-4-carbonyl}morpholine
• IUPAC Traditional name: 4-{2-[4-(benzyloxy)-3-fluorophenyl]pyridine-4-carbonyl}morpholine
• Synonyms: 4-{2-[4-(benzyloxy)-3-fluorophenyl]isonicotinoyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5769582
• LogD (pH = 7.4): 3.5776362
• Log P: 3.5776448
• Molar Refractivity: 107.9038 cm^3
• Polarizability: 42.29608 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.98
• LOG S: -3.75
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5