2-ethyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecane

• ChemBase ID: 471168
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: C(=O)(N1CCC2(CC(CN(C2)CC)c2ccccc2)CC1)c1ncccc1
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)C(=O)c1ccccn1)c1ccccc1
• InChI: InChI=1S/C23H29N3O/c1-2-25-17-20(19-8-4-3-5-9-19)16-23(18-25)11-14-26(15-12-23)22(27)21-10-6-7-13-24-21/h3-10,13,20H,2,11-12,14-18H2,1H3
• InChIKey: JQIAAHRSDPRNGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-ethyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecane
• Synonyms: 2-ethyl-4-phenyl-9-(2-pyridinylcarbonyl)-2,9-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.27707836
• LogD (pH = 7.4): 0.9274054
• Log P: 3.1314445
• Molar Refractivity: 109.2527 cm^3
• Polarizability: 42.12582 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.92
• LOG S: -4.34
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3