8-[2-(3-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 696045
• Molecular Formular: C20H27FN2O3
• Molecular Mass: 362.4383832
• Monoisotopic Mass: 362.20057095
• SMILES: N1(C(=O)Cc2cc(F)ccc2)CC2(CN(C(=O)CC2)CCOC)CCC1
• Canonical SMILES: COCCN1CC2(CCCN(C2)C(=O)Cc2cccc(c2)F)CCC1=O
• InChI: InChI=1S/C20H27FN2O3/c1-26-11-10-23-15-20(8-6-18(23)24)7-3-9-22(14-20)19(25)13-16-4-2-5-17(21)12-16/h2,4-5,12H,3,6-11,13-15H2,1H3
• InChIKey: WZXXUHDILRFRQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(3-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[2-(3-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(3-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3875805
• LogD (pH = 7.4): 1.3875809
• Log P: 1.3875809
• Molar Refractivity: 97.2492 cm^3
• Polarizability: 37.452812 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: 1.83
• LOG S: -3.4
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5