8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 775644
• Molecular Formular: C28H33N3O5
• Molecular Mass: 491.57872
• Monoisotopic Mass: 491.24202117
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc2c(OCCO2)cc1)CCOC)C1Cc2c(C1)cccc2
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C28H33N3O5/c1-34-13-12-30-27(33)31(23-17-21-4-2-3-5-22(21)18-23)26(32)28(30)8-10-29(11-9-28)19-20-6-7-24-25(16-20)36-15-14-35-24/h2-7,16,23H,8-15,17-19H2,1H3
• InChIKey: DDUKPBKGPKTNCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dihydro-1,4-benzodioxin-6-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-1,4-benzodioxin-6-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-1,4-benzodioxin-6-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: 6
• H Donor: 0
• LogD (pH = 5.5): -0.07482764
• LogD (pH = 7.4): 1.6992875
• Log P: 2.555505
• Molar Refractivity: 135.2913 cm^3
• Polarizability: 52.468136 Å^3
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.92
• LOG S: -4.28
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 5