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

• ChemBase编号: 207090
• 分子式: C24H21NO3
• 平均质量: 371.42844
• 单一同位素质量: 371.15214354
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)OCN(C1)CCc1ccccc1
• Canonical SMILES: Cc1c2OCN(Cc2cc2c1oc(=O)c1c2cccc1)CCc1ccccc1
• InChI: InChI=1S/C24H21NO3/c1-16-22-18(14-25(15-27-22)12-11-17-7-3-2-4-8-17)13-21-19-9-5-6-10-20(19)24(26)28-23(16)21/h2-10,13H,11-12,14-15H2,1H3
• InChIKey: XQIKALUNLTWGOV-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263000
• PubChem CID: 1778005

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.0977254
• LogD (pH = 7.4): 5.1731334
• Log P: 5.174185
• 摩尔折射率: 109.1943 cm^3
• 极化性: 43.267662 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