4-[1-({2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxyphenyl}methyl)azetidin-3-yl]morpholine

• ChemBase ID: 865514
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: N1(Cc2c(c(OC)ccc2)OCCn2cncc2)CC(N2CCOCC2)C1
• Canonical SMILES: COc1cccc(c1OCCn1cncc1)CN1CC(C1)N1CCOCC1
• InChI: InChI=1S/C20H28N4O3/c1-25-19-4-2-3-17(20(19)27-12-7-22-6-5-21-16-22)13-23-14-18(15-23)24-8-10-26-11-9-24/h2-6,16,18H,7-15H2,1H3
• InChIKey: YVVJPLCVYDFWKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-({2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxyphenyl}methyl)azetidin-3-yl]morpholine
• IUPAC Traditional name: 4-[1-({2-[2-(imidazol-1-yl)ethoxy]-3-methoxyphenyl}methyl)azetidin-3-yl]morpholine
• Synonyms: 4-(1-{2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxybenzyl}azetidin-3-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.77847755
• LogD (pH = 7.4): 1.0015639
• Log P: 1.1946132
• Molar Refractivity: 104.2624 cm^3
• Polarizability: 40.554504 Å^3
• Polar Surface Area: 51.99 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: -0.49
• LOG S: -0.49
• Polar Surface Area: 51.99 Å^2
• Rotatable Bonds: 8