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

• ChemBase编号: 475625
• 分子式: C26H32FN3O5
• 平均质量: 485.5477832
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 8-[(4-fluoro-3-methoxyphenyl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC传统名: 8-[(4-fluoro-3-methoxyphenyl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• 别名: 8-(4-fluoro-3-methoxybenzyl)-3-(3-methoxybenzyl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 0.0955357
• LogD (pH = 7.4): 1.8482394
• Log P: 2.481415
• 摩尔折射率: 129.7419 cm^3
• 极化性: 49.93343 Å^3
• 极化表面积: 71.55 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 2.74
• LOG S: -3.15
• 极化表面积: 71.55 Å^2
• 可自由旋转的化学键: 6