8-[2-(2-chloro-6-fluorophenyl)acetyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 498919
• Molecular Formular: C17H20ClFN2O3
• Molecular Mass: 354.8037032
• Monoisotopic Mass: 354.11464841
• SMILES: N1(C2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)CCC1=O)OC
• Canonical SMILES: CON1C(=O)CCC21CCN(CC2)C(=O)Cc1c(F)cccc1Cl
• InChI: InChI=1S/C17H20ClFN2O3/c1-24-21-15(22)5-6-17(21)7-9-20(10-8-17)16(23)11-12-13(18)3-2-4-14(12)19/h2-4H,5-11H2,1H3
• InChIKey: NSPBAEQQWPRQHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(2-chloro-6-fluorophenyl)acetyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[2-(2-chloro-6-fluorophenyl)acetyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(2-chloro-6-fluorophenyl)acetyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5537252
• LogD (pH = 7.4): 1.5537254
• Log P: 1.5537254
• Molar Refractivity: 87.8598 cm^3
• Polarizability: 33.895218 Å^3
• Polar Surface Area: 49.85 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: 1.12
• LOG S: -2.74
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3