12-methyl-3-(2-phenylpropyl)-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one

• ChemBase编号: 206942
• 分子式: C25H23NO3
• 平均质量: 385.45502
• 单一同位素质量: 385.1677936
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)OCN(C1)CC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)CN1COc2c(C1)cc1c(c2C)oc(=O)c2c1cccc2
• InChI: InChI=1S/C25H23NO3/c1-16(18-8-4-3-5-9-18)13-26-14-19-12-22-20-10-6-7-11-21(20)25(27)29-24(22)17(2)23(19)28-15-26/h3-12,16H,13-15H2,1-2H3
• InChIKey: CKEMGGRMAJNXHM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 12-methyl-3-(2-phenylpropyl)-2,3,4,10-tetrahydro-1,11-dioxa-3-azatetraphen-10-one
• IUPAC传统名: 12-methyl-3-(2-phenylpropyl)-2,4-dihydro-1,11-dioxa-3-azatetraphen-10-one

登记号

• PubChem SID: 164262852
• PubChem CID: 3565157

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.3967333
• LogD (pH = 7.4): 5.53704
• Log P: 5.5391574
• 摩尔折射率: 113.6659 cm^3
• 极化性: 45.112965 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