4-({2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}methyl)phenol

• ChemBase ID: 857921
• Molecular Formular: C24H32N2O
• Molecular Mass: 364.52368
• Monoisotopic Mass: 364.25146365
• SMILES: N1(CC(CC2(C1)CCN(Cc1ccc(cc1)O)CC2)c1ccccc1)CC
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)Cc1ccc(cc1)O)c1ccccc1
• InChI: InChI=1S/C24H32N2O/c1-2-25-18-22(21-6-4-3-5-7-21)16-24(19-25)12-14-26(15-13-24)17-20-8-10-23(27)11-9-20/h3-11,22,27H,2,12-19H2,1H3
• InChIKey: JJUABYMWHHAIDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}methyl)phenol
• IUPAC Traditional name: 4-({2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}methyl)phenol
• Synonyms: 4-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undec-9-yl)methyl]phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.371526
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7622454
• LogD (pH = 7.4): 1.0257262
• Log P: 3.4596312
• Molar Refractivity: 113.4334 cm^3
• Polarizability: 44.202312 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.38
• LOG S: -4.01
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4