N-cyclopropyl-2-{6'-methyl-8'-oxo-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-7'-yl}acetamide

• ChemBase编号: 216386
• 分子式: C23H27NO4
• 平均质量: 381.46478
• 单一同位素质量: 381.19400835
• SMILES: c1(c(c2c(oc1=O)cc1OC3(CCc1c2)CCCCC3)C)CC(=O)NC1CC1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)OC2(CC1)CCCCC2)NC1CC1
• InChI: InChI=1S/C23H27NO4/c1-14-17-11-15-7-10-23(8-3-2-4-9-23)28-19(15)13-20(17)27-22(26)18(14)12-21(25)24-16-5-6-16/h11,13,16H,2-10,12H2,1H3,(H,24,25)
• InChIKey: CZMFWKCVSRPRGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-{6'-methyl-8'-oxo-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-7'-yl}acetamide
• IUPAC传统名: N-cyclopropyl-2-{6'-methyl-8'-oxo-3',4'-dihydrospiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-7'-yl}acetamide

登记号

• PubChem SID: 164272296
• PubChem CID: 8016066

理论计算性质

• Acid pKa: 14.61963
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 3.5347548
• LogD (pH = 7.4): 3.5347548
• Log P: 3.5347548
• 摩尔折射率: 105.6618 cm^3
• 极化性: 41.104294 Å^3
• 极化表面积: 64.63 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds