3-benzyl-8-[(3,4-dimethoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 326916
• Molecular Formular: C27H35N3O5
• Molecular Mass: 481.5839
• Monoisotopic Mass: 481.25767124
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc(c(cc1)OC)OC)CCCOC)Cc1ccccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(c(c1)OC)OC)Cc1ccccc1
• InChI: InChI=1S/C27H35N3O5/c1-33-17-7-14-30-26(32)29(20-21-8-5-4-6-9-21)25(31)27(30)12-15-28(16-13-27)19-22-10-11-23(34-2)24(18-22)35-3/h4-6,8-11,18H,7,12-17,19-20H2,1-3H3
• InChIKey: YGHBXFDGRXFNJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-8-[(3,4-dimethoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-benzyl-8-[(3,4-dimethoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-benzyl-8-(3,4-dimethoxybenzyl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.23778196
• LogD (pH = 7.4): 1.5363524
• Log P: 2.3986728
• Molar Refractivity: 134.3909 cm^3
• Polarizability: 52.07925 Å^3
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.62
• LOG S: -3.02
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 7