8-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 340249
• Molecular Formular: C26H32ClN3O4
• Molecular Mass: 486.00298
• Monoisotopic Mass: 485.2081342
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(Cl)cc1)CCCOC)Cc1ccc(cc1)OC
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(cc1)Cl)Cc1ccc(cc1)OC
• InChI: InChI=1S/C26H32ClN3O4/c1-33-17-3-14-30-25(32)29(19-21-6-10-23(34-2)11-7-21)24(31)26(30)12-15-28(16-13-26)18-20-4-8-22(27)9-5-20/h4-11H,3,12-19H2,1-2H3
• InChIKey: FANJRBZKZPJNCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(4-chlorobenzyl)-3-(4-methoxybenzyl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.6993424
• LogD (pH = 7.4): 2.4627814
• Log P: 3.1603887
• Molar Refractivity: 132.7325 cm^3
• Polarizability: 51.430412 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 0
• Log P: 3.6
• LOG S: -3.9