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

• ChemBase ID: 439935
• Molecular Formular: C26H33N3O5
• Molecular Mass: 467.55732
• Monoisotopic Mass: 467.24202117
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(cc1)O)CCCOC)Cc1ccc(cc1)OC
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(cc1)O)Cc1ccc(cc1)OC
• InChI: InChI=1S/C26H33N3O5/c1-33-17-3-14-29-25(32)28(19-21-6-10-23(34-2)11-7-21)24(31)26(29)12-15-27(16-13-26)18-20-4-8-22(30)9-5-20/h4-11,30H,3,12-19H2,1-2H3
• InChIKey: GPWLVANMVNUEMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.534424
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.60717654
• LogD (pH = 7.4): 1.1433939
• Log P: 2.0169857
• Molar Refractivity: 129.9086 cm^3
• Polarizability: 50.16747 Å^3
• Polar Surface Area: 82.55 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.22
• LOG S: -3.58
• Polar Surface Area: 82.55 Å^2
• Rotatable Bonds: 7