8-[(4-methoxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 456275
• 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)C)CCOC)Cc1cc(OC)ccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(c(c1)C)OC)Cc1cccc(c1)OC
• InChI: InChI=1S/C27H35N3O5/c1-20-16-22(8-9-24(20)35-4)18-28-12-10-27(11-13-28)25(31)29(26(32)30(27)14-15-33-2)19-21-6-5-7-23(17-21)34-3/h5-9,16-17H,10-15,18-19H2,1-4H3
• InChIKey: JVFCQYDARYDBBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(4-methoxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-[(4-methoxy-3-methylphenyl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-(3-methoxybenzyl)-1-(2-methoxyethyl)-8-(4-methoxy-3-methylbenzyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.09633383
• LogD (pH = 7.4): 1.6365032
• Log P: 2.8521345
• Molar Refractivity: 134.5667 cm^3
• Polarizability: 52.001938 Å^3
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.16
• LOG S: -3.44
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 6