8-(1-benzofuran-2-ylmethyl)-1-benzyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 608353
• Molecular Formular: C29H28N4O3
• Molecular Mass: 480.55762
• Monoisotopic Mass: 480.21614078
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1oc3c(c1)cccc3)CC2)Cc1ccccc1)Cc1ncccc1
• Canonical SMILES: O=C1N(Cc2ccccn2)C(=O)C2(N1Cc1ccccc1)CCN(CC2)Cc1cc2c(o1)cccc2
• InChI: InChI=1S/C29H28N4O3/c34-27-29(13-16-31(17-14-29)21-25-18-23-10-4-5-12-26(23)36-25)33(19-22-8-2-1-3-9-22)28(35)32(27)20-24-11-6-7-15-30-24/h1-12,15,18H,13-14,16-17,19-21H2
• InChIKey: LUFKQUYPVGEHKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-benzofuran-2-ylmethyl)-1-benzyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(1-benzofuran-2-ylmethyl)-1-benzyl-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(1-benzofuran-2-ylmethyl)-1-benzyl-3-(2-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.27839005
• LogD (pH = 7.4): 1.9782846
• Log P: 3.3684282
• Molar Refractivity: 136.2077 cm^3
• Polarizability: 53.89699 Å^3
• Polar Surface Area: 69.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.33
• LOG S: -4.8
• Polar Surface Area: 69.89 Å^2
• Rotatable Bonds: 6