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

• ChemBase ID: 430227
• Molecular Formular: C27H35N3O5
• Molecular Mass: 481.5839
• Monoisotopic Mass: 481.25767124
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc(OC)ccc1)CCc1ccc(cc1)OC)CCOC
• Canonical SMILES: COCCN1C(=O)N(C2(C1=O)CCN(CC2)Cc1cccc(c1)OC)CCc1ccc(cc1)OC
• InChI: InChI=1S/C27H35N3O5/c1-33-18-17-29-25(31)27(30(26(29)32)14-11-21-7-9-23(34-2)10-8-21)12-15-28(16-13-27)20-22-5-4-6-24(19-22)35-3/h4-10,19H,11-18,20H2,1-3H3
• InChIKey: SJBJBSLNBNUMTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.2282788
• LogD (pH = 7.4): 1.5268532
• Log P: 2.6273744
• Molar Refractivity: 134.2805 cm^3
• Polarizability: 52.07945 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: 3.04
• LOG S: -3.23
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 7