3-benzyl-8-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 661907
• Molecular Formular: C26H33N3O2
• Molecular Mass: 419.55912
• Monoisotopic Mass: 419.25727731
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CC(C)C)CCc1ccccc1)Cc1ccccc1
• Canonical SMILES: CC(CN1CCC2(CC1)N(CCc1ccccc1)C(=O)N(C2=O)Cc1ccccc1)C
• InChI: InChI=1S/C26H33N3O2/c1-21(2)19-27-17-14-26(15-18-27)24(30)28(20-23-11-7-4-8-12-23)25(31)29(26)16-13-22-9-5-3-6-10-22/h3-12,21H,13-20H2,1-2H3
• InChIKey: NAYJUDLJLZXECJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-8-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-benzyl-8-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-benzyl-8-isobutyl-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.84728146
• LogD (pH = 7.4): 2.1275246
• Log P: 4.2339954
• Molar Refractivity: 124.0548 cm^3
• Polarizability: 48.1988 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.36
• LOG S: -4.82
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 6