1,3,4,6,8-pentamethyl-5-[(E)-2-phenylethenyl]-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione

• ChemBase编号: 182685
• 分子式: C19H26N4O2
• 平均质量: 342.43534
• 单一同位素质量: 342.20557609
• SMILES: N1(C2N(C(=O)N(C(C2C(N(C1=O)C)/C=C/c1ccccc1)C)C)C)C
• Canonical SMILES: CC1N(C)C(=O)N(C2C1C(/C=C/c1ccccc1)N(C)C(=O)N2C)C
• InChI: InChI=1S/C19H26N4O2/c1-13-16-15(12-11-14-9-7-6-8-10-14)21(3)19(25)23(5)17(16)22(4)18(24)20(13)2/h6-13,15-17H,1-5H3/b12-11+
• InChIKey: UNJZVKFTIFAQTA-VAWYXSNFSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,4,6,8-pentamethyl-5-[(E)-2-phenylethenyl]-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione
• IUPAC传统名: 1,3,4,6,8-pentamethyl-5-[(E)-2-phenylethenyl]-tetrahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione

登记号

• PubChem SID: 164238595
• PubChem CID: 5909031

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.0408406
• LogD (pH = 7.4): 2.0408406
• Log P: 2.0408406
• 摩尔折射率: 97.867 cm^3
• 极化性: 37.333862 Å^3
• 极化表面积: 47.1 Å^2
• 可自由旋转的化学键: 2
• 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