4-{[4-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)furan-2-yl]methyl}morpholine

• ChemBase ID: 466058
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: c1(C(=O)N2CC=C(CC2)c2ccccc2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)N1CCC(=CC1)c1ccccc1
• InChI: InChI=1S/C21H24N2O3/c24-21(19-14-20(26-16-19)15-22-10-12-25-13-11-22)23-8-6-18(7-9-23)17-4-2-1-3-5-17/h1-6,14,16H,7-13,15H2
• InChIKey: RDTHBBYYZRHNQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(4-phenyl-1,2,3,6-tetrahydropyridine-1-carbonyl)furan-2-yl]methyl}morpholine
• IUPAC Traditional name: 4-{[4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-yl]methyl}morpholine
• Synonyms: 4-({4-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]-2-furyl}methyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8847966
• LogD (pH = 7.4): 2.2084563
• Log P: 2.2146318
• Molar Refractivity: 102.4195 cm^3
• Polarizability: 38.6261 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: 4
• H Donor: 0
• Log P: 1.61
• LOG S: -3.15
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4