1-(benzyloxy)-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 856815
• Molecular Formular: C23H27N3O5
• Molecular Mass: 425.47758
• Monoisotopic Mass: 425.19507098
• SMILES: c1(C(=O)N2CCC3(N(C(=O)CC3)OCc3ccccc3)CC2)c(nc(cc1)OC)OC
• Canonical SMILES: COc1nc(OC)ccc1C(=O)N1CCC2(CC1)CCC(=O)N2OCc1ccccc1
• InChI: InChI=1S/C23H27N3O5/c1-29-19-9-8-18(21(24-19)30-2)22(28)25-14-12-23(13-15-25)11-10-20(27)26(23)31-16-17-6-4-3-5-7-17/h3-9H,10-16H2,1-2H3
• InChIKey: YZAQDTCOXFKNSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-(benzyloxy)-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-(benzyloxy)-8-[(2,6-dimethoxy-3-pyridinyl)carbonyl]-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.2071834
• LogD (pH = 7.4): 2.2071865
• Log P: 2.2071865
• Molar Refractivity: 114.7963 cm^3
• Polarizability: 43.95725 Å^3
• Polar Surface Area: 81.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.57
• LOG S: -4.5
• Polar Surface Area: 81.2 Å^2
• Rotatable Bonds: 6