6,7,10-trimethyl-3-(2-phenylpropyl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 206207
• 分子式: C23H25NO3
• 平均质量: 363.4495
• 单一同位素质量: 363.18344367
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C1)CC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)CN1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)C
• InChI: InChI=1S/C23H25NO3/c1-14(18-8-6-5-7-9-18)11-24-12-19-10-20-15(2)16(3)23(25)27-22(20)17(4)21(19)26-13-24/h5-10,14H,11-13H2,1-4H3
• InChIKey: HAVMCFFBWUJZJA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,7,10-trimethyl-3-(2-phenylpropyl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one
• IUPAC传统名: 6,7,10-trimethyl-3-(2-phenylpropyl)-2H,4H-chromeno[6,7-e][1,3]oxazin-8-one

登记号

• PubChem SID: 164262117
• PubChem CID: 3762346

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.425317
• LogD (pH = 7.4): 5.0726376
• Log P: 5.092135
• 摩尔折射率: 106.9145 cm^3
• 极化性: 41.347702 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds