7-cyclopentyl-2-(5-methoxyfuran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 735673
• 分子式: C19H26N2O4
• 平均质量: 346.42074
• 单一同位素质量: 346.18925732
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)c2oc(cc2)OC)CC1
• Canonical SMILES: COc1ccc(o1)C(=O)N1CCC2(C1)CCCN(C2=O)C1CCCC1
• InChI: InChI=1S/C19H26N2O4/c1-24-16-8-7-15(25-16)17(22)20-12-10-19(13-20)9-4-11-21(18(19)23)14-5-2-3-6-14/h7-8,14H,2-6,9-13H2,1H3
• InChIKey: ZCEDSZINUOUFKV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-cyclopentyl-2-(5-methoxyfuran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-cyclopentyl-2-(5-methoxyfuran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-cyclopentyl-2-(5-methoxy-2-furoyl)-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5697136
• LogD (pH = 7.4): 1.5697155
• Log P: 1.5697155
• 摩尔折射率: 92.0633 cm^3
• 极化性: 35.57023 Å^3
• 极化表面积: 62.99 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.69
• LOG S: -4.02
• 极化表面积: 62.99 Å^2
• 可自由旋转的化学键: 3