8-benzyl-3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 830214
• Molecular Formular: C26H33N3O4
• Molecular Mass: 451.55792
• Monoisotopic Mass: 451.24710655
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccccc1)CCc1ccc(cc1)OC)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1ccccc1)CCc1ccc(cc1)OC
• InChI: InChI=1S/C26H33N3O4/c1-32-19-18-28-24(30)26(13-16-27(17-14-26)20-22-6-4-3-5-7-22)29(25(28)31)15-12-21-8-10-23(33-2)11-9-21/h3-11H,12-20H2,1-2H3
• InChIKey: GIWXMQHQLPVAKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.2971591
• LogD (pH = 7.4): 1.3809711
• Log P: 2.7850456
• Molar Refractivity: 127.8173 cm^3
• Polarizability: 49.55609 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.12
• LOG S: -3.46
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 7