4-[2-(benzyloxy)benzoyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane

• ChemBase ID: 340293
• Molecular Formular: C22H26N2O4
• Molecular Mass: 382.45284
• Monoisotopic Mass: 382.18925732
• SMILES: C(=O)(N1CC2(OCC1)CNCCOC2)c1c(OCc2ccccc2)cccc1
• Canonical SMILES: O=C(c1ccccc1OCc1ccccc1)N1CCOC2(C1)CNCCOC2
• InChI: InChI=1S/C22H26N2O4/c25-21(24-11-13-28-22(16-24)15-23-10-12-26-17-22)19-8-4-5-9-20(19)27-14-18-6-2-1-3-7-18/h1-9,23H,10-17H2
• InChIKey: HPCOSRAJUJYMMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(benzyloxy)benzoyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
• IUPAC Traditional name: 4-[2-(benzyloxy)benzoyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
• Synonyms: 4-[2-(benzyloxy)benzoyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0046283
• LogD (pH = 7.4): 0.48649395
• Log P: 2.0201716
• Molar Refractivity: 106.4388 cm^3
• Polarizability: 41.45714 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.56
• LOG S: -3.32
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 4