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

• ChemBase ID: 360400
• Molecular Formular: C27H35N3O6
• Molecular Mass: 497.5833
• Monoisotopic Mass: 497.25258586
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c(cc(cc1)OC)O)CC2)CCCOC)Cc1ccc(cc1)OC
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(cc1O)OC)Cc1ccc(cc1)OC
• InChI: InChI=1S/C27H35N3O6/c1-34-16-4-13-30-26(33)29(18-20-5-8-22(35-2)9-6-20)25(32)27(30)11-14-28(15-12-27)19-21-7-10-23(36-3)17-24(21)31/h5-10,17,31H,4,11-16,18-19H2,1-3H3
• InChIKey: AYMPYJXUAZJQLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.21437
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.0491179
• LogD (pH = 7.4): 0.5429437
• Log P: 1.2379788
• Molar Refractivity: 136.3718 cm^3
• Polarizability: 52.69821 Å^3
• Polar Surface Area: 91.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.27
• LOG S: -3.79
• Polar Surface Area: 91.78 Å^2
• Rotatable Bonds: 7