7-({4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

• ChemBase ID: 431648
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C1(=O)N(CC2(O1)CN(Cc1ccc(cc1)OCCn1cncc1)CC2)C
• Canonical SMILES: O=C1OC2(CN1C)CCN(C2)Cc1ccc(cc1)OCCn1cncc1
• InChI: InChI=1S/C19H24N4O3/c1-21-13-19(26-18(21)24)6-8-23(14-19)12-16-2-4-17(5-3-16)25-11-10-22-9-7-20-15-22/h2-5,7,9,15H,6,8,10-14H2,1H3
• InChIKey: WVBJZOOFAOJJTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-({4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• IUPAC Traditional name: 7-({4-[2-(imidazol-1-yl)ethoxy]phenyl}methyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• Synonyms: 7-{4-[2-(1H-imidazol-1-yl)ethoxy]benzyl}-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 97.4055 cm^3
• Polarizability: 37.728806 Å^3
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.9483747
• LogD (pH = 7.4): 0.29017386
• Log P: 1.2291739

供应商提供(Chembridge)

• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0
• Log P: 0.98
• LOG S: -1.63