8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 716018
• Molecular Formular: C28H33N3O4
• Molecular Mass: 475.57932
• Monoisotopic Mass: 475.24710655
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc2c(OCC2)cc1)CCOC)C1Cc2c(C1)cccc2
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc2c(c1)CCO2)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C28H33N3O4/c1-34-15-13-30-27(33)31(24-17-21-4-2-3-5-22(21)18-24)26(32)28(30)9-11-29(12-10-28)19-20-6-7-25-23(16-20)8-14-35-25/h2-7,16,24H,8-15,17-19H2,1H3
• InChIKey: OTAAGNPHOOFUCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.026341895
• LogD (pH = 7.4): 1.7725292
• Log P: 2.9245896
• Molar Refractivity: 134.1067 cm^3
• Polarizability: 51.702103 Å^3
• Polar Surface Area: 62.32 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: 3.05
• LOG S: -4.57
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 5