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

• ChemBase ID: 313734
• Molecular Formular: C27H35N3O6
• Molecular Mass: 497.5833
• Monoisotopic Mass: 497.25258586
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1c(c(c(cc1)OC)OC)OC)CC2)Cc1ccccc1)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(c(c1OC)OC)OC)Cc1ccccc1
• InChI: InChI=1S/C27H35N3O6/c1-33-17-16-29-25(31)27(30(26(29)32)18-20-8-6-5-7-9-20)12-14-28(15-13-27)19-21-10-11-22(34-2)24(36-4)23(21)35-3/h5-11H,12-19H2,1-4H3
• InChIKey: HGRLVBLKHYBSBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3-(2-methoxyethyl)-8-[(2,3,4-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-benzyl-3-(2-methoxyethyl)-8-[(2,3,4-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-benzyl-3-(2-methoxyethyl)-8-(2,3,4-trimethoxybenzyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -0.15128025
• LogD (pH = 7.4): 1.5915856
• Log P: 2.181042
• Molar Refractivity: 135.9887 cm^3
• Polarizability: 52.772476 Å^3
• Polar Surface Area: 80.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.12
• LOG S: -2.96
• Polar Surface Area: 80.78 Å^2
• Rotatable Bonds: 6