Quinoxaline, 5,6,7,8-tetrahydro-2-methyl-3-phenyl-, 1,4-dioxide | 88819-95-8
Quinoxaline, 5,6,7,8-tetrahydro-2-methyl-3-phenyl-, 1,4-dioxide
88819-95-8
C15H16N2O2
256.29974
名称和标识符
InChIKey |
NAGXFYVOWQESIK-UHFFFAOYSA-N |
Inchi |
InChI=1S/C15H16N2O2/c1-11-15(12-7-3-2-4-8-12)17(19)14-10-6-5-9-13(14)16(11)18/h2-4,7-8H,5-6,9-10H2,1H3 |
SMILES |
CC1=C([N+](=O)C2=C(N1[O-])CCCC2)C3=CC=CC=C3 |
别名信息
- 英文别名 -
- Quinoxaline, 5,6,7,8-tetrahydro-2-methyl-3-phenyl-, 1,4-dioxide
- 3-methyl-4-oxido-2-phenyl-5,6,7,8-tetrahydroquinoxalin-1-ium 1-oxide
- SR-01000505340-1
- SR-01000505340-1
- SMR000433803
- SMR000433803
- CHEMBL1723323
- CHEMBL1723323
- DTXSID60365389
- DTXSID60365389
- 3-METHYL-2-PHENYL-5,6,7,8-TETRAHYDROQUINOXALINE-1,4-DIIUM-1,4-BIS(OLATE)
- 3-METHYL-2-PHENYL-5,6,7,8-TETRAHYDROQUINOXALINE-1,4-DIIUM-1,4-BIS(OLATE)
- AKOS001669846
- AKOS001669846
- MLS000769088
- MLS000769088
- 2-Methyl-3-phenyl-5,6,7,8-tetrahydro-quinoxaline 1,4-dioxide
- 2-Methyl-3-phenyl-5,6,7,8-tetrahydro-quinoxaline 1,4-dioxide
- 88819-95-8
- 88819-95-8
- SR-01000505340
- SR-01000505340
- HMS2802O03
- HMS2802O03
物化性质
计算特性
精确分子量 |
256.121177757g/mol |
氢键供体数量 |
0 |
氢键受体数量 |
3 |
可旋转化学键数量 |
1 |
同位素质量 |
256.121177757g/mol |
重原子数量 |
19 |
复杂度 |
459 |
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) |
1.6 |
拓扑分子极性表面积 |
46.4Ų |
Quinoxaline, 5,6,7,8-tetrahydro-2-methyl-3-phenyl-, 1,4-dioxide推荐生产厂家