1-benzyl-8-(2-methylbutyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 333278
• Molecular Formular: C27H36N4O2
• Molecular Mass: 448.60034
• Monoisotopic Mass: 448.28382641
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CC(CC)C)Cc1ccccc1)CCCc1cnccc1
• Canonical SMILES: CCC(CN1CCC2(CC1)N(Cc1ccccc1)C(=O)N(C2=O)CCCc1cccnc1)C
• InChI: InChI=1S/C27H36N4O2/c1-3-22(2)20-29-17-13-27(14-18-29)25(32)30(16-8-12-23-11-7-15-28-19-23)26(33)31(27)21-24-9-5-4-6-10-24/h4-7,9-11,15,19,22H,3,8,12-14,16-18,20-21H2,1-2H3
• InChIKey: OYSYADZZUTUVLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-8-(2-methylbutyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-8-(2-methylbutyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-8-(2-methylbutyl)-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.38431725
• LogD (pH = 7.4): 1.5905621
• Log P: 3.9054604
• Molar Refractivity: 131.0999 cm^3
• Polarizability: 50.975628 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.77
• LOG S: -4.72
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 8