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

• ChemBase编号: 206355
• 分子式: C29H29NO5
• 平均质量: 471.54426
• 单一同位素质量: 471.20457303
• SMILES: c12c(c(c(c(=O)o1)Cc1ccccc1)C)cc1c(c2C)OCN(C1)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)CN1COc2c(C1)cc1c(c2C)oc(=O)c(c1C)Cc1ccccc1
• InChI: InChI=1S/C29H29NO5/c1-18-23-14-22-16-30(15-21-10-11-25(32-3)26(13-21)33-4)17-34-27(22)19(2)28(23)35-29(31)24(18)12-20-8-6-5-7-9-20/h5-11,13-14H,12,15-17H2,1-4H3
• InChIKey: PSLLSVQSUQKLGF-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164262265
• PubChem CID: 1807515

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.6718416
• LogD (pH = 7.4): 5.701144
• Log P: 5.701531
• 摩尔折射率: 135.3103 cm^3
• 极化性: 52.362312 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 6
• 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