7-[(4-fluorophenyl)methyl]-2-(4-methoxybenzoyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 847407
• Molecular Formular: C23H27FN2O2
• Molecular Mass: 382.4710832
• Monoisotopic Mass: 382.20565633
• SMILES: N1(C(=O)c2ccc(cc2)OC)CC2(CN(Cc3ccc(F)cc3)CCC2)CC1
• Canonical SMILES: COc1ccc(cc1)C(=O)N1CCC2(C1)CCCN(C2)Cc1ccc(cc1)F
• InChI: InChI=1S/C23H27FN2O2/c1-28-21-9-5-19(6-10-21)22(27)26-14-12-23(17-26)11-2-13-25(16-23)15-18-3-7-20(24)8-4-18/h3-10H,2,11-17H2,1H3
• InChIKey: GJEZIOXLAJQMOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-fluorophenyl)methyl]-2-(4-methoxybenzoyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(4-fluorophenyl)methyl]-2-(4-methoxybenzoyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(4-fluorobenzyl)-2-(4-methoxybenzoyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.86253047
• LogD (pH = 7.4): 2.636376
• Log P: 3.5285244
• Molar Refractivity: 109.0036 cm^3
• Polarizability: 41.56169 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.89
• LOG S: -3.87
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3