8-(2-fluorobenzoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 691811
• Molecular Formular: C19H25FN2O3
• Molecular Mass: 348.4118032
• Monoisotopic Mass: 348.18492089
• SMILES: C(=O)(c1c(F)cccc1)N1CCC2(CN(C(=O)C2)CCCOC)CC1
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)c1ccccc1F
• InChI: InChI=1S/C19H25FN2O3/c1-25-12-4-9-22-14-19(13-17(22)23)7-10-21(11-8-19)18(24)15-5-2-3-6-16(15)20/h2-3,5-6H,4,7-14H2,1H3
• InChIKey: CTXADNWETFSTKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-fluorobenzoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(2-fluorobenzoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(2-fluorobenzoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.86689866
• LogD (pH = 7.4): 0.8668991
• Log P: 0.8668991
• Molar Refractivity: 93.6162 cm^3
• Polarizability: 35.413322 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.27
• LOG S: -3.28
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5