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

• ChemBase ID: 629473
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(C(=O)N2C(c3occc3)CCC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(N1CCCC1c1ccco1)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C18H22N2O4/c21-18(20-5-1-3-16(20)17-4-2-8-23-17)14-11-15(24-13-14)12-19-6-9-22-10-7-19/h2,4,8,11,13,16H,1,3,5-7,9-10,12H2
• InChIKey: JRXIPBDQISVNIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9750544
• LogD (pH = 7.4): 1.298496
• Log P: 1.3046654
• Molar Refractivity: 89.1526 cm^3
• Polarizability: 33.85879 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.36
• LOG S: -1.92
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 4