8-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 645748
• Molecular Formular: C25H32N4O6
• Molecular Mass: 484.54478
• Monoisotopic Mass: 484.23218476
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cc(c(c(c1)OC)O)OC)CC2)CCOC)Cc1cnccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cc(OC)c(c(c1)OC)O)Cc1cccnc1
• InChI: InChI=1S/C25H32N4O6/c1-33-12-11-29-24(32)28(17-18-5-4-8-26-15-18)23(31)25(29)6-9-27(10-7-25)16-19-13-20(34-2)22(30)21(14-19)35-3/h4-5,8,13-15,30H,6-7,9-12,16-17H2,1-3H3
• InChIKey: AGQXLURAXCLRJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(4-hydroxy-3,5-dimethoxybenzyl)-1-(2-methoxyethyl)-3-(3-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.370721
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -1.7060257
• LogD (pH = 7.4): 0.1163175
• Log P: 0.5926735
• Molar Refractivity: 129.3495 cm^3
• Polarizability: 49.990284 Å^3
• Polar Surface Area: 104.67 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 0.29
• LOG S: -2.37
• Polar Surface Area: 104.67 Å^2
• Rotatable Bonds: 6