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

• ChemBase编号: 204579
• 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)Cc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)CN1COc2c(C1)cc1c(c2C)oc(=O)c2c1cccc2
• InChI: InChI=1S/C24H21NO3/c1-15-7-9-17(10-8-15)12-25-13-18-11-21-19-5-3-4-6-20(19)24(26)28-23(21)16(2)22(18)27-14-25/h3-11H,12-14H2,1-2H3
• InChIKey: JJBIIZSHLUKWCR-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260489
• PubChem CID: 1769095

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.386689
• LogD (pH = 7.4): 5.3987885
• Log P: 5.398945
• 摩尔折射率: 109.4805 cm^3
• 极化性: 43.264473 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 2
• 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