2-ethyl-4-phenyl-9-[2-(pyridin-2-yl)ethyl]-2,9-diazaspiro[5.5]undecane

• ChemBase ID: 856552
• Molecular Formular: C24H33N3
• Molecular Mass: 363.53892
• Monoisotopic Mass: 363.26744807
• SMILES: N1(CC(CC2(C1)CCN(CCc1ncccc1)CC2)c1ccccc1)CC
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)CCc1ccccn1)c1ccccc1
• InChI: InChI=1S/C24H33N3/c1-2-26-19-22(21-8-4-3-5-9-21)18-24(20-26)12-16-27(17-13-24)15-11-23-10-6-7-14-25-23/h3-10,14,22H,2,11-13,15-20H2,1H3
• InChIKey: AKWZBPLNXBAQMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-phenyl-9-[2-(pyridin-2-yl)ethyl]-2,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-ethyl-4-phenyl-9-[2-(pyridin-2-yl)ethyl]-2,9-diazaspiro[5.5]undecane
• Synonyms: 2-ethyl-4-phenyl-9-[2-(2-pyridinyl)ethyl]-2,9-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.7832646
• LogD (pH = 7.4): -0.116003916
• Log P: 3.707483
• Molar Refractivity: 113.4728 cm^3
• Polarizability: 44.47845 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.15
• LOG S: -3.09
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5