1-benzyl-3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 485137
• Molecular Formular: C16H21N3O2
• Molecular Mass: 287.35684
• Monoisotopic Mass: 287.16337693
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C)Cc1ccccc1)C
• Canonical SMILES: CN1C(=O)N(C2(C1=O)CCN(CC2)C)Cc1ccccc1
• InChI: InChI=1S/C16H21N3O2/c1-17-10-8-16(9-11-17)14(20)18(2)15(21)19(16)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
• InChIKey: UVQFWELNMPTPTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): -2.0299256
• LogD (pH = 7.4): -0.31693783
• Log P: 0.976558
• Molar Refractivity: 80.943 cm^3
• Polarizability: 31.228657 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

供应商提供(Chembridge)

• Log P: 0.81
• LOG S: -1.39
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 0