6,7,10-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H,3H,4H,8H-chromeno[6,7-e][1,3]oxazin-8-one

• ChemBase编号: 204379
• 分子式: C24H25NO3
• 平均质量: 375.4602
• 单一同位素质量: 375.18344367
• SMILES: c12c(c(c(c(=O)o1)C)C)cc1c(c2C)OCN(C2c3c(CCC2)cccc3)C1
• Canonical SMILES: O=c1oc2c(C)c3OCN(Cc3cc2c(c1C)C)C1CCCc2c1cccc2
• InChI: InChI=1S/C24H25NO3/c1-14-15(2)24(26)28-23-16(3)22-18(11-20(14)23)12-25(13-27-22)21-10-6-8-17-7-4-5-9-19(17)21/h4-5,7,9,11,21H,6,8,10,12-13H2,1-3H3
• InChIKey: ZLCWWBDENHTLHN-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164260289
• PubChem CID: 3715412

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.0748916
• LogD (pH = 7.4): 5.4205036
• Log P: 5.427294
• 摩尔折射率: 109.8697 cm^3
• 极化性: 42.45512 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 1
• 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