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

• ChemBase ID: 426315
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CCc1ccccc1)Cc1ccccc1)C
• Canonical SMILES: O=C1N(C)C(=O)C2(N1Cc1ccccc1)CCN(CC2)CCc1ccccc1
• InChI: InChI=1S/C23H27N3O2/c1-24-21(27)23(26(22(24)28)18-20-10-6-3-7-11-20)13-16-25(17-14-23)15-12-19-8-4-2-5-9-19/h2-11H,12-18H2,1H3
• InChIKey: JAIUVQVIAGQHIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): -0.27047464
• LogD (pH = 7.4): 1.2586491
• Log P: 2.9896924
• Molar Refractivity: 110.3106 cm^3
• Polarizability: 42.589962 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.73
• LOG S: -3.76
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3