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

• ChemBase ID: 542130
• Molecular Formular: C21H26N2O4
• Molecular Mass: 370.44214
• Monoisotopic Mass: 370.18925732
• SMILES: c1(C(=O)N2C(c3cc(OC)ccc3)CCC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: COc1cccc(c1)C1CCCN1C(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C21H26N2O4/c1-25-18-5-2-4-16(12-18)20-6-3-7-23(20)21(24)17-13-19(27-15-17)14-22-8-10-26-11-9-22/h2,4-5,12-13,15,20H,3,6-11,14H2,1H3
• InChIKey: PUSDZHGQMVAOEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7570665
• LogD (pH = 7.4): 2.0805762
• Log P: 2.0867476
• Molar Refractivity: 103.2249 cm^3
• Polarizability: 39.48002 Å^3
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.12
• LOG S: -2.86
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 5