8-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 864219
• Molecular Formular: C27H33N3O6
• Molecular Mass: 495.56742
• Monoisotopic Mass: 495.23693579
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cc3c(c(c1)OC)OCO3)CC2)CCOC)CCc1ccccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cc(OC)c2c(c1)OCO2)CCc1ccccc1
• InChI: InChI=1S/C27H33N3O6/c1-33-15-14-30-26(32)29(11-8-20-6-4-3-5-7-20)25(31)27(30)9-12-28(13-10-27)18-21-16-22(34-2)24-23(17-21)35-19-36-24/h3-7,16-17H,8-15,18-19H2,1-2H3
• InChIKey: CUGORIFLBVGHCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -0.0026216363
• LogD (pH = 7.4): 1.754055
• Log P: 2.4082792
• Molar Refractivity: 133.5842 cm^3
• Polarizability: 52.049667 Å^3
• Polar Surface Area: 80.78 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.75
• LOG S: -2.71
• Polar Surface Area: 80.78 Å^2
• Rotatable Bonds: 7