7-methyl-2-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 442052
• 分子式: C19H27N3O4
• 平均质量: 361.43538
• 单一同位素质量: 361.20015636
• SMILES: c1(C(=O)N2CC3(C(=O)N(CCC3)C)CC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C19H27N3O4/c1-20-5-2-3-19(18(20)24)4-6-22(14-19)17(23)15-11-16(26-13-15)12-21-7-9-25-10-8-21/h11,13H,2-10,12,14H2,1H3
• InChIKey: GGKBKHHZABSBIN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methyl-2-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-methyl-2-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-methyl-2-[5-(4-morpholinylmethyl)-3-furoyl]-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): -0.3236931
• LogD (pH = 7.4): 1.10916415E-4
• Log P: 0.0062902425
• 摩尔折射率: 97.5508 cm^3
• 极化性: 37.104652 Å^3
• 极化表面积: 66.23 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: 5
• 质子供体: 0
• Log P: -0.74
• LOG S: -2.51
• 极化表面积: 66.23 Å^2
• 可自由旋转的化学键: 3