1-{7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-2-phenylethane-1,2-dione

• ChemBase ID: 553347
• Molecular Formular: C23H25FN2O2
• Molecular Mass: 380.4552032
• Monoisotopic Mass: 380.19000627
• SMILES: N1(C(=O)C(=O)c2ccccc2)CC2(CN(Cc3c(F)cccc3)CCC2)CC1
• Canonical SMILES: O=C(C(=O)c1ccccc1)N1CCC2(C1)CCCN(C2)Cc1ccccc1F
• InChI: InChI=1S/C23H25FN2O2/c24-20-10-5-4-9-19(20)15-25-13-6-11-23(16-25)12-14-26(17-23)22(28)21(27)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2
• InChIKey: NAQMBODCTQTUDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-2-phenylethane-1,2-dione
• IUPAC Traditional name: 1-{7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-2-phenylethane-1,2-dione
• Synonyms: 2-[7-(2-fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-2-oxo-1-phenylethanone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6613206
• LogD (pH = 7.4): 3.2501993
• Log P: 3.5458543
• Molar Refractivity: 107.4819 cm^3
• Polarizability: 41.151653 Å^3
• Polar Surface Area: 40.62 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: 3.51
• LOG S: -3.33
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4