7-({4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 857558
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C1(=O)OC2(CN(Cc3ccc(cc3)OCCn3cncc3)CCC2)CN1
• Canonical SMILES: O=C1NCC2(O1)CCCN(C2)Cc1ccc(cc1)OCCn1cncc1
• InChI: InChI=1S/C19H24N4O3/c24-18-21-13-19(26-18)6-1-8-23(14-19)12-16-2-4-17(5-3-16)25-11-10-22-9-7-20-15-22/h2-5,7,9,15H,1,6,8,10-14H2,(H,21,24)
• InChIKey: BGEYEXZJDZVMNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-({4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}methyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-({4-[2-(imidazol-1-yl)ethoxy]phenyl}methyl)-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-{4-[2-(1H-imidazol-1-yl)ethoxy]benzyl}-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.936993
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4156952
• LogD (pH = 7.4): 0.8049477
• Log P: 1.5228605
• Molar Refractivity: 97.1534 cm^3
• Polarizability: 37.728806 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.43
• LOG S: -2.01
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 6