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

• ChemBase ID: 347911
• Molecular Formular: C28H37N3O4
• Molecular Mass: 479.61108
• Monoisotopic Mass: 479.27840668
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(cc1)OC)CCC(C)C)Cc1cc(OC)ccc1
• Canonical SMILES: COc1ccc(cc1)CN1CCC2(CC1)N(CCC(C)C)C(=O)N(C2=O)Cc1cccc(c1)OC
• InChI: InChI=1S/C28H37N3O4/c1-21(2)12-15-31-27(33)30(20-23-6-5-7-25(18-23)35-4)26(32)28(31)13-16-29(17-14-28)19-22-8-10-24(34-3)11-9-22/h5-11,18,21H,12-17,19-20H2,1-4H3
• InChIKey: IIECSORTBAFVPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1440934
• LogD (pH = 7.4): 2.8998058
• Log P: 3.9966068
• Molar Refractivity: 136.9042 cm^3
• Polarizability: 53.2193 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.42
• LOG S: -4.36
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 6