4-[1-({3-[3-(morpholin-4-yl)propoxy]phenyl}methyl)azetidin-3-yl]morpholine

• ChemBase ID: 472549
• Molecular Formular: C21H33N3O3
• Molecular Mass: 375.50502
• Monoisotopic Mass: 375.25219193
• SMILES: N1(CC(N2CCOCC2)C1)Cc1cc(OCCCN2CCOCC2)ccc1
• Canonical SMILES: O1CCN(CC1)CCCOc1cccc(c1)CN1CC(C1)N1CCOCC1
• InChI: InChI=1S/C21H33N3O3/c1-3-19(16-23-17-20(18-23)24-8-13-26-14-9-24)15-21(4-1)27-10-2-5-22-6-11-25-12-7-22/h1,3-4,15,20H,2,5-14,16-18H2
• InChIKey: DSJVIHZGOLANQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-({3-[3-(morpholin-4-yl)propoxy]phenyl}methyl)azetidin-3-yl]morpholine
• IUPAC Traditional name: 4-[1-({3-[3-(morpholin-4-yl)propoxy]phenyl}methyl)azetidin-3-yl]morpholine
• Synonyms: 4-(3-{3-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenoxy}propyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.0637224
• LogD (pH = 7.4): 0.8807481
• Log P: 1.3054613
• Molar Refractivity: 107.8177 cm^3
• Polarizability: 42.402237 Å^3
• Polar Surface Area: 37.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.1
• LOG S: -0.84
• Polar Surface Area: 37.41 Å^2
• Rotatable Bonds: 8