1-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-(morpholin-4-yl)ethane-1,2-dione

• ChemBase编号: 594041
• 分子式: C15H23N3O4
• 平均质量: 309.36082
• 单一同位素质量: 309.16885623
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(C(=O)N1CCC2(C1)CCCN(C2=O)C)N1CCOCC1
• InChI: InChI=1S/C15H23N3O4/c1-16-5-2-3-15(14(16)21)4-6-18(11-15)13(20)12(19)17-7-9-22-10-8-17/h2-11H2,1H3
• InChIKey: MRUFZGGFUGQXPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-(morpholin-4-yl)ethane-1,2-dione
• IUPAC传统名: 1-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-(morpholin-4-yl)ethane-1,2-dione
• 别名: 7-methyl-2-[morpholin-4-yl(oxo)acetyl]-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.2495242
• LogD (pH = 7.4): -1.249524
• Log P: -1.249524
• 摩尔折射率: 79.3572 cm^3
• 极化性: 30.593721 Å^3
• 极化表面积: 70.16 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -2.31
• LOG S: -0.79
• 极化表面积: 70.16 Å^2
• 可自由旋转的化学键: 1