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

• ChemBase ID: 321012
• Molecular Formular: C23H33N3O3
• Molecular Mass: 399.52642
• Monoisotopic Mass: 399.25219193
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C1CCCCC1)Cc1ccccc1)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)C1CCCCC1)Cc1ccccc1
• InChI: InChI=1S/C23H33N3O3/c1-29-17-16-25-21(27)23(26(22(25)28)18-19-8-4-2-5-9-19)12-14-24(15-13-23)20-10-6-3-7-11-20/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3
• InChIKey: IDYRWWAAPCXVCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-8-cyclohexyl-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-8-cyclohexyl-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-8-cyclohexyl-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): -0.71733385
• LogD (pH = 7.4): 0.29680136
• Log P: 2.728853
• Molar Refractivity: 113.0007 cm^3
• Polarizability: 44.08311 Å^3
• Polar Surface Area: 53.09 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: 2.81
• LOG S: -3.24
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5