4-(5-methylpyrazine-2-carbonyl)-2-(3-phenylpropyl)morpholine

• ChemBase编号: 316805
• 分子式: C19H23N3O2
• 平均质量: 325.40482
• 单一同位素质量: 325.17902699
• SMILES: N1(C(=O)c2ncc(nc2)C)CC(OCC1)CCCc1ccccc1
• Canonical SMILES: Cc1cnc(cn1)C(=O)N1CCOC(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H23N3O2/c1-15-12-21-18(13-20-15)19(23)22-10-11-24-17(14-22)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,12-13,17H,5,8-11,14H2,1H3
• InChIKey: QIFLQQWJWVXRMM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(5-methylpyrazine-2-carbonyl)-2-(3-phenylpropyl)morpholine
• IUPAC传统名: 4-(5-methylpyrazine-2-carbonyl)-2-(3-phenylpropyl)morpholine
• 别名: 4-[(5-methyl-2-pyrazinyl)carbonyl]-2-(3-phenylpropyl)morpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.0966506
• LogD (pH = 7.4): 2.096652
• Log P: 2.0966523
• 摩尔折射率: 92.1498 cm^3
• 极化性: 35.513912 Å^3
• 极化表面积: 55.32 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.21
• LOG S: -4.16
• 极化表面积: 55.32 Å^2
• 可自由旋转的化学键: 5