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

• ChemBase编号: 207405
• 分子式: C27H25NO3
• 平均质量: 411.4923
• 单一同位素质量: 411.18344367
• SMILES: c12c(c(c3c(c2)CN(CO3)CC(c2ccccc2)C)C)oc(=O)cc1c1ccccc1
• Canonical SMILES: O=c1cc(c2ccccc2)c2c(o1)c(C)c1c(c2)CN(CO1)CC(c1ccccc1)C
• InChI: InChI=1S/C27H25NO3/c1-18(20-9-5-3-6-10-20)15-28-16-22-13-24-23(21-11-7-4-8-12-21)14-25(29)31-27(24)19(2)26(22)30-17-28/h3-14,18H,15-17H2,1-2H3
• InChIKey: UPLOAVXAHJOQJB-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164263315
• PubChem CID: 3750765

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.17334
• LogD (pH = 7.4): 5.8114324
• Log P: 5.830388
• 摩尔折射率: 131.8281 cm^3
• 极化性: 47.26733 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 4
• 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