2,4-Imidazolidinedione,3,3'-[(2-methyl-1,4-piperazinediyl)bis(methylene)]bis[5,5-diphenyl- (9CI) | 26786-94-7
2,4-Imidazolidinedione,3,3'-[(2-methyl-1,4-piperazinediyl)bis(methylene)]bis[5,5-diphenyl- (9CI)
26786-94-7
C37H36N6O4
628.71954
名称和标识符
InChIKey |
UMQJWHSUSOWMCK-UHFFFAOYSA-N |
Inchi |
InChI=1S/C37H36N6O4/c1-27-24-40(25-42-32(44)36(38-34(42)46,28-14-6-2-7-15-28)29-16-8-3-9-17-29)22-23-41(27)26-43-33(45)37(39-35(43)47,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21,27H,22-26H2,1H3,(H,38,46)(H,39,47) |
SMILES |
CC1CN(CN2C(=O)NC(C3=CC=CC=C3)(C3=CC=CC=C3)C2=O)CCN1CN1C(=O)NC(C2=CC=CC=C2)(C2=CC=CC=C2)C1=O |
别名信息
- 英文别名 -
- 2,4-Imidazolidinedione,3,3'-[(2-methyl-1,4-piperazinediyl)bis(methylene)]bis[5,5-diphenyl- (9CI)
- 3-[[4-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
- Hydantoin, 3,3'-((2-methyl-1,4-piperazinediyl)dimethylene)bis(5,5-diphenyl-
- 3,3'-[(2-Methylpiperazine-1,4-diyl)bis(methylene)]bis(2-hydroxy-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one)
- BRN 0738563
- DTXSID50949591
- N,N'-Bis(5,5-diphenylhydantoinylmethyl-3)-2-methylpiperazine
- 2,4-Imidazolidinedione, 3,3'-((2-methyl-1,4-piperazinediyl)bis(methylene)) bis(5,5-diphenyl-
- 26786-94-7
物化性质
实验特性
计算特性
精确分子量 |
628.28008 |
氢键供体数量 |
2 |
氢键受体数量 |
6 |
可旋转化学键数量 |
8 |
同位素质量 |
628.27980365g/mol |
重原子数量 |
47 |
复杂度 |
1130 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
1 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
4.9 |
拓扑分子极性表面积 |
105Ų |