HCID389904

2-[[3-(chloromethyl)-6-nitroindolin-1-yl]carbonyl]-N-[2-(4-morpholinyl)ethyl]indole-6-carboxamide

2-[3-(chloromethyl)-6-nitro-2,3-dihydroindole-1-carbonyl]-N-(2-morpholin-4-ylethyl)-1H-indole-6-carboxamide

C25H26ClN5O5512 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=C(NCCN1CCOCC1)c1ccc2cc(C(=O)N3CC(CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1
InChIKey: AIRLSJZBUJIUSL-UHFFFAOYSA-N
分子式: C25H26ClN5O5
平均分子量: 512 g/mol
单同位素质量: 511.1622466

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 123 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 6
重原子: 36
形式电荷: 0
复杂度: 821

ALIASES

名称与别名

共 5 条

NCI60_031224SCHEMBL8482082CHEMBL2009381AIRLSJZBUJIUSL-UHFFFAOYSA-N2-[[3-(chloromethyl)-6-nitroindolin-1-yl]carbonyl]-N-[2-(4-morpholinyl)ethyl]indole-6-carboxamide

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

uspto-grants-1999_11 · 10.6084/m9.figshare.5104873.v1 · US05985909

查看