8-(1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 636419
• Molecular Formular: C28H33N3O5
• Molecular Mass: 491.57872
• Monoisotopic Mass: 491.24202117
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1oc3c(c1)cccc3)CC2)CCc1ccc(cc1)OC)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1cc2c(o1)cccc2)CCc1ccc(cc1)OC
• InChI: InChI=1S/C28H33N3O5/c1-34-18-17-30-26(32)28(31(27(30)33)14-11-21-7-9-23(35-2)10-8-21)12-15-29(16-13-28)20-24-19-22-5-3-4-6-25(22)36-24/h3-10,19H,11-18,20H2,1-2H3
• InChIKey: FYPUUNNGJROXKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.19959313
• LogD (pH = 7.4): 1.488113
• Log P: 2.86417
• Molar Refractivity: 136.5359 cm^3
• Polarizability: 53.93071 Å^3
• Polar Surface Area: 75.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.68
• LOG S: -4.27
• Polar Surface Area: 75.46 Å^2
• Rotatable Bonds: 7