4-({4-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]furan-2-yl}methyl)morpholine

• ChemBase ID: 645407
• Molecular Formular: C20H23FN2O3
• Molecular Mass: 358.4066232
• Monoisotopic Mass: 358.16927083
• SMILES: c1(C(=O)N2CC(c3c(F)cccc3)CC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)N1CCC(C1)c1ccccc1F
• InChI: InChI=1S/C20H23FN2O3/c21-19-4-2-1-3-18(19)15-5-6-23(12-15)20(24)16-11-17(26-14-16)13-22-7-9-25-10-8-22/h1-4,11,14-15H,5-10,12-13H2
• InChIKey: ZGWZEUGYIKAVGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({4-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]furan-2-yl}methyl)morpholine
• IUPAC Traditional name: 4-({4-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]furan-2-yl}methyl)morpholine
• Synonyms: 4-[(4-{[3-(2-fluorophenyl)-1-pyrrolidinyl]carbonyl}-2-furyl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 1.7716597
• LogD (pH = 7.4): 2.0954776
• Log P: 2.1016574
• Molar Refractivity: 97.2619 cm^3
• Polarizability: 36.646236 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 0
• Log P: 1.28
• LOG S: -2.91
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4