Dipyrido[3,2-b:2',3'-i]phenoxazin-13-ium,1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro- | 185308-24-1
Dipyrido[3,2-b:2',3'-i]phenoxazin-13-ium,1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-
185308-24-1
C24H28N3O3+
406.49742
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:Dipyrido[3,2-b:2',3'-i]phenoxazin-13-ium,1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-结构式
Dipyrido[3,2-b:2',3'-i]phenoxazin-13-ium,1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-价格
名称和标识符
InChIKey |
PPHZUAWXHMGPCR-UHFFFAOYSA-O |
Inchi |
InChI=1S/C24H27N3O3/c1-2-26-9-3-6-16-12-18-22(14-20(16)26)30-23-15-21-17(13-19(23)25-18)7-4-10-27(21)11-5-8-24(28)29/h12-15H,2-11H2,1H3/p+1 |
SMILES |
OC(CCC[N+]1CCCC2=CC3=NC4C=C5CCCN(CC)C5=CC=4OC3=CC=12)=O |
别名信息
- 英文别名 -
- Dipyrido[3,2-b:2',3'-i]phenoxazin-13-ium,1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-
- MR 121
- Dipyrido[3,2-b:2',3'-i]phenoxazin-13-ium,1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahy...
- MR 121 Cation
- 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-
- 1-(3-carboxypropyl)-11-ethyl-1,2,3,4,8,9,10,11-octahydro-dipyrido[3,2-b:2',3'-i]phenoxazin-13-ium
- SCHEMBL13320179
- 4-(11-Ethyl-3,4,8,9,10,11-hexahydrodipyrido[3,2-b:2',3'-i]phenoxazin-13-ium-1(2H)-yl)butanoate
- 4-(20-Ethyl-2-oxa-13,20-diaza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaen-6-yl)butanoic acid
- J-011886
- 185308-24-1
- 1- (3- Carboxypropyl) - 11- ethyl- 3, 4, 8, 9, 10, 11- hexahydro- 2H- Dipyrido[3, 2- b:2', 3'- i] phenoxazin- 13- ium inner salt
- FT-0672551
- 185213-55-2
- MR 121 Inner Salt
- DTXSID20571641
- 1-(3-Carboxypropyl)-11-ethyl-3,4,8,9,10,11-hexahydro-2H-dipyrido[3,2-b:2',3'-i]phenoxazin-1-ium
物化性质
实验特性
LogP |
4.78200 |
PSA |
69.81000 |
计算特性
精确分子量 |
406.21300 |
氢键供体数量 |
1 |
氢键受体数量 |
5 |
可旋转化学键数量 |
5 |
同位素质量 |
406.21306676g/mol |
重原子数量 |
30 |
复杂度 |
841 |
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 |
1 |
疏水参数计算参考值(XlogP) |
2.4 |
拓扑分子极性表面积 |
65.1Ų |
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