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

• ChemBase编号: 207108
• 分子式: C34H31NO3
• 平均质量: 501.61484
• 单一同位素质量: 501.23039386
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1c2OCN(Cc2cc2c1oc(=O)c(c2C)Cc1ccccc1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C34H31NO3/c1-23-29-19-28-20-35(21-31(26-14-8-4-9-15-26)27-16-10-5-11-17-27)22-37-32(28)24(2)33(29)38-34(36)30(23)18-25-12-6-3-7-13-25/h3-17,19,31H,18,20-22H2,1-2H3
• InChIKey: IFTZQVPRMYXWIN-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263018
• PubChem CID: 1778065

理论计算性质

• 质子供体: 0
• LogD (pH = 5.5): 6.7965627
• LogD (pH = 7.4): 7.7566857
• Log P: 7.8043113
• 摩尔折射率: 151.7055 cm^3
• 极化性: 58.745483 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false
• 质子受体: 3

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds