1-[(2-fluorophenyl)methoxy]-8-[2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 321090
• Molecular Formular: C26H28FN3O4
• Molecular Mass: 465.5166232
• Monoisotopic Mass: 465.20638461
• SMILES: C1(=O)Nc2c(C1CC(=O)N1CCC3(N(C(=O)CC3)OCc3c(F)cccc3)CC1)cc(cc2)C
• Canonical SMILES: Cc1ccc2c(c1)C(CC(=O)N1CCC3(CC1)CCC(=O)N3OCc1ccccc1F)C(=O)N2
• InChI: InChI=1S/C26H28FN3O4/c1-17-6-7-22-19(14-17)20(25(33)28-22)15-24(32)29-12-10-26(11-13-29)9-8-23(31)30(26)34-16-18-4-2-3-5-21(18)27/h2-7,14,20H,8-13,15-16H2,1H3,(H,28,33)
• InChIKey: QOKQZNMLNRTIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-fluorophenyl)methoxy]-8-[2-(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-[(2-fluorophenyl)methoxy]-8-[2-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-[(2-fluorobenzyl)oxy]-8-[(5-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.872919
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3159442
• LogD (pH = 7.4): 2.315943
• Log P: 2.3159444
• Molar Refractivity: 125.769 cm^3
• Polarizability: 47.44547 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.48
• LOG S: -4.71
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 5