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

• ChemBase ID: 338443
• Molecular Formular: C26H33N3O3
• Molecular Mass: 435.55852
• Monoisotopic Mass: 435.25219193
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(cc1)CC)Cc1ccccc1)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(cc1)CC)Cc1ccccc1
• InChI: InChI=1S/C26H33N3O3/c1-3-21-9-11-23(12-10-21)19-27-15-13-26(14-16-27)24(30)28(17-18-32-2)25(31)29(26)20-22-7-5-4-6-8-22/h4-12H,3,13-20H2,1-2H3
• InChIKey: XEQZSVUTRXNIAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.53001446
• LogD (pH = 7.4): 2.2082384
• Log P: 3.6120458
• Molar Refractivity: 126.2413 cm^3
• Polarizability: 48.800297 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.85
• LOG S: -4.07
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 6