8-(2-phenoxybenzoyl)-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 401777
• Molecular Formular: C21H23NO3
• Molecular Mass: 337.41222
• Monoisotopic Mass: 337.1677936
• SMILES: C(=O)(c1c(Oc2ccccc2)cccc1)N1CCC2(OCCC2)CC1
• Canonical SMILES: O=C(c1ccccc1Oc1ccccc1)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C21H23NO3/c23-20(22-14-12-21(13-15-22)11-6-16-24-21)18-9-4-5-10-19(18)25-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2
• InChIKey: JZJWINPVHGAOHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-phenoxybenzoyl)-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 8-(2-phenoxybenzoyl)-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 8-(2-phenoxybenzoyl)-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0622776
• LogD (pH = 7.4): 3.0622778
• Log P: 3.0622778
• Molar Refractivity: 97.0767 cm^3
• Polarizability: 37.454678 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.86
• LOG S: -4.1
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3