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

• ChemBase ID: 463767
• Molecular Formular: C23H28N4O2
• Molecular Mass: 392.49402
• Monoisotopic Mass: 392.22122616
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C)Cc1ccccc1)CCCc1cnccc1
• Canonical SMILES: CN1CCC2(CC1)N(Cc1ccccc1)C(=O)N(C2=O)CCCc1cccnc1
• InChI: InChI=1S/C23H28N4O2/c1-25-15-11-23(12-16-25)21(28)26(14-6-10-19-9-5-13-24-17-19)22(29)27(23)18-20-7-3-2-4-8-20/h2-5,7-9,13,17H,6,10-12,14-16,18H2,1H3
• InChIKey: SBJBKLVCUSSYRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-8-methyl-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-8-methyl-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-8-methyl-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): -0.88235015
• LogD (pH = 7.4): 0.92176175
• Log P: 2.2165887
• Molar Refractivity: 112.7547 cm^3
• Polarizability: 43.60457 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.79
• LOG S: -3.25
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 6