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

• ChemBase ID: 475625
• Molecular Formular: C26H32FN3O5
• Molecular Mass: 485.5477832
• Monoisotopic Mass: 485.23259936
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc(c(cc1)F)OC)CCOC)Cc1cc(OC)ccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(c(c1)OC)F)Cc1cccc(c1)OC
• InChI: InChI=1S/C26H32FN3O5/c1-33-14-13-30-25(32)29(18-19-5-4-6-21(15-19)34-2)24(31)26(30)9-11-28(12-10-26)17-20-7-8-22(27)23(16-20)35-3/h4-8,15-16H,9-14,17-18H2,1-3H3
• InChIKey: GCHGYVRNZAZYCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.0955357
• LogD (pH = 7.4): 1.8482394
• Log P: 2.481415
• Molar Refractivity: 129.7419 cm^3
• Polarizability: 49.93343 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: 2.74
• LOG S: -3.15
• Polar Surface Area: 71.55 Å^2
• Rotatable Bonds: 6