9-[2-methyl-6-(propan-2-yl)phenyl]-4-propyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

• ChemBase编号: 206923
• 分子式: C24H27NO3
• 平均质量: 377.47608
• 单一同位素质量: 377.19909373
• SMILES: N1(Cc2c3c(c(cc(=O)o3)CCC)ccc2OC1)c1c(C(C)C)cccc1C
• Canonical SMILES: CCCc1cc(=O)oc2c1ccc1c2CN(CO1)c1c(C)cccc1C(C)C
• InChI: InChI=1S/C24H27NO3/c1-5-7-17-12-22(26)28-24-19(17)10-11-21-20(24)13-25(14-27-21)23-16(4)8-6-9-18(23)15(2)3/h6,8-12,15H,5,7,13-14H2,1-4H3
• InChIKey: SKGHATYABGHEIJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-[2-methyl-6-(propan-2-yl)phenyl]-4-propyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
• IUPAC传统名: 9-(2-isopropyl-6-methylphenyl)-4-propyl-8H,10H-chromeno[8,7-e][1,3]oxazin-2-one

登记号

• PubChem SID: 164262833
• PubChem CID: 1777584

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.343744
• LogD (pH = 7.4): 6.343744
• Log P: 6.343744
• 摩尔折射率: 112.6095 cm^3
• 极化性: 42.795784 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: Rare Derivatives of Natural Compounds