3-(2-{7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 857621
• Molecular Formular: C20H26FN3O3
• Molecular Mass: 375.4371432
• Monoisotopic Mass: 375.19581993
• SMILES: C1(=O)N(CC(=O)N2CC3(CN(Cc4c(F)cccc4)CCC3)CC2)CCO1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)Cc1ccccc1F)CN1CCOC1=O
• InChI: InChI=1S/C20H26FN3O3/c21-17-5-2-1-4-16(17)12-22-8-3-6-20(14-22)7-9-24(15-20)18(25)13-23-10-11-27-19(23)26/h1-2,4-5H,3,6-15H2
• InChIKey: KGHUDZJYEJIACP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-{7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)-1,3-oxazolidin-2-one
• Synonyms: 3-{2-[7-(2-fluorobenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-2-oxoethyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.382406
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1162431
• LogD (pH = 7.4): 0.65261734
• Log P: 1.3981801
• Molar Refractivity: 99.2247 cm^3
• Polarizability: 38.264435 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.44
• LOG S: -1.46
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4