7-benzyl-3-[(4-methoxyphenyl)methyl]-6,10-dimethyl-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 205211
• 分子式: C28H27NO4
• 平均质量: 441.51828
• 单一同位素质量: 441.19400835
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C28H27NO4/c1-18-24-14-22-16-29(15-21-9-11-23(31-3)12-10-21)17-32-26(22)19(2)27(24)33-28(30)25(18)13-20-7-5-4-6-8-20/h4-12,14H,13,15-17H2,1-3H3
• InChIKey: MFJWSCQCKSDRMH-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164261121
• PubChem CID: 1772287

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.807193
• LogD (pH = 7.4): 5.858507
• Log P: 5.859202
• 摩尔折射率: 128.8471 cm^3
• 极化性: 49.852276 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 5
• 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