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

• ChemBase编号: 219161
• 分子式: C27H33N3O6
• 平均质量: 495.56742
• 单一同位素质量: 495.23693579
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCc1ccc(cc1)OC)CC1(c2ccc(cc2)OC)CCOCC1
• Canonical SMILES: COc1ccc(cc1)CNC(=O)CC[C@@H]1NC(=O)N(C1=O)CC1(CCOCC1)c1ccc(cc1)OC
• InChI: InChI=1S/C27H33N3O6/c1-34-21-7-3-19(4-8-21)17-28-24(31)12-11-23-25(32)30(26(33)29-23)18-27(13-15-36-16-14-27)20-5-9-22(35-2)10-6-20/h3-10,23H,11-18H2,1-2H3,(H,28,31)(H,29,33)/t23-/m0/s1
• InChIKey: VTIABHQVLCWDGV-QHCPKHFHSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164275071
• PubChem CID: 16409078

理论计算性质

• Acid pKa: 11.635026
• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): 1.7485243
• LogD (pH = 7.4): 1.7484999
• Log P: 1.7485248
• 摩尔折射率: 133.2716 cm^3
• 极化性: 51.789146 Å^3
• 极化表面积: 106.2 Å^2
• 可自由旋转的化学键: 10
• 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