8-{[5-(methoxymethyl)furan-2-yl]methyl}-3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase编号: 379369
• 分子式: C26H35N3O6
• 平均质量: 485.5726
• 单一同位素质量: 485.25258586
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1oc(cc1)COC)CC2)CCCOC)Cc1ccc(cc1)OC
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(o1)COC)Cc1ccc(cc1)OC
• InChI: InChI=1S/C26H35N3O6/c1-32-16-4-13-29-25(31)28(17-20-5-7-21(34-3)8-6-20)24(30)26(29)11-14-27(15-12-26)18-22-9-10-23(35-22)19-33-2/h5-10H,4,11-19H2,1-3H3
• InChIKey: LDTCQLZFFHELPM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-{[5-(methoxymethyl)furan-2-yl]methyl}-3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC传统名: 8-{[5-(methoxymethyl)furan-2-yl]methyl}-3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• 别名: 3-(4-methoxybenzyl)-8-{[5-(methoxymethyl)-2-furyl]methyl}-1-(3-methoxypropyl)-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): -1.1679622
• LogD (pH = 7.4): 0.60500807
• Log P: 1.4123687
• 摩尔折射率: 131.7632 cm^3
• 极化性: 50.82759 Å^3
• 极化表面积: 84.69 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 7
• 质子供体: 0
• Log P: 1.84
• LOG S: -2.9
• 极化表面积: 84.69 Å^2
• 可自由旋转的化学键: 8