1H-Pyrrole-3-carboxamide,2,5-dihydro-2,2,5,5-tetramethyl-N-[3-[[(3,4,5-trimethoxyphenyl)methyl]amino]propyl]-,hydrochloride (1:2) | 93798-83-5
1H-Pyrrole-3-carboxamide,2,5-dihydro-2,2,5,5-tetramethyl-N-[3-[[(3,4,5-trimethoxyphenyl)methyl]amino]propyl]-,hydrochloride (1:2)
93798-83-5
C22H35N3O4.2[HCl]
478.45288
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1H-Pyrrole-3-carboxamide,2,5-dihydro-2,2,5,5-tetramethyl-N-[3-[[(3,4,5-trimethoxyphenyl)methyl]amino]propyl]-,hydrochloride (1:2)结构式
名称和标识符
InChIKey |
NYVGDMRJEAMMMK-UHFFFAOYSA-N |
Inchi |
InChI=1S/C22H35N3O4.2ClH/c1-21(2)13-16(22(3,4)25-21)20(26)24-10-8-9-23-14-15-11-17(27-5)19(29-7)18(12-15)28-6;;/h11-13,23,25H,8-10,14H2,1-7H3,(H,24,26);2*1H |
SMILES |
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC(=C(C(=C2)OC)OC)OC)C.Cl.Cl |
别名信息
- 英文别名 -
- 1H-Pyrrole-3-carboxamide,2,5-dihydro-2,2,5,5-tetramethyl-N-[3-[[(3,4,5-trimethoxyphenyl)methyl]amino]propyl]-,hydrochloride (1:2)
- 2,2,5,5-tetramethyl-N-[3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]-1H-pyrrole-3-carboxamide,dihydrochloride
- 2,2,5,5-Tetramethyl-N-(3-{[(3,4,5-trimethoxyphenyl)methyl]amino}propyl)-2,5-dihydro-1H-pyrrole-3-carboximidic acid--hydrogen chloride (1/2)
- DTXSID00917947
- 1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-N-(3-(((3,4,5-trimethoxyphenyl)methyl)amino)propyl)-, dihydrochloride
物化性质
计算特性
精确分子量 |
477.2161121g/mol |
氢键供体数量 |
5 |
氢键受体数量 |
6 |
可旋转化学键数量 |
10 |
同位素质量 |
477.2161121g/mol |
重原子数量 |
31 |
复杂度 |
562 |
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 |
0 |
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 |
3 |
拓扑分子极性表面积 |
80.8Ų |