8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

• ChemBase ID: 845712
• Molecular Formular: C21H23NO3
• Molecular Mass: 337.41222
• Monoisotopic Mass: 337.1677936
• SMILES: C1(=O)OC2(CCN(CC(c3ccccc3)c3ccccc3)CC2)CO1
• Canonical SMILES: O=C1OCC2(O1)CCN(CC2)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H23NO3/c23-20-24-16-21(25-20)11-13-22(14-12-21)15-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2
• InChIKey: WHZDFAXMXZZWAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• Synonyms: 8-(2,2-diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.39598686
• LogD (pH = 7.4): 1.4676453
• Log P: 3.8328004
• Molar Refractivity: 96.3423 cm^3
• Polarizability: 37.94498 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.38
• LOG S: -3.54
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4