N-(furan-2-ylmethyl)-3-[(4S)-1-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,5-dioxoimidazolidin-4-yl]propanamide

• ChemBase编号: 219663
• 分子式: C24H29N3O6
• 平均质量: 455.50356
• 单一同位素质量: 455.20563566
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCc1occc1)CC1(c2ccc(cc2)OC)CCOCC1
• Canonical SMILES: COc1ccc(cc1)C1(CCOCC1)CN1C(=O)N[C@H](C1=O)CCC(=O)NCc1ccco1
• InChI: InChI=1S/C24H29N3O6/c1-31-18-6-4-17(5-7-18)24(10-13-32-14-11-24)16-27-22(29)20(26-23(27)30)8-9-21(28)25-15-19-3-2-12-33-19/h2-7,12,20H,8-11,13-16H2,1H3,(H,25,28)(H,26,30)/t20-/m0/s1
• InChIKey: HILBIYBBFMRPHE-FQEVSTJZSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-2-ylmethyl)-3-[(4S)-1-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,5-dioxoimidazolidin-4-yl]propanamide
• IUPAC传统名: N-(furan-2-ylmethyl)-3-[(4S)-1-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,5-dioxoimidazolidin-4-yl]propanamide

登记号

• PubChem SID: 164275573
• PubChem CID: 16409554

理论计算性质

• Acid pKa: 11.390006
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 0.96644205
• LogD (pH = 7.4): 0.96639884
• Log P: 0.96644276
• 摩尔折射率: 119.1993 cm^3
• 极化性: 46.176178 Å^3
• 极化表面积: 110.11 Å^2
• 可自由旋转的化学键: 9
• 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