Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1cc(OC)c(OCc2ccccc2)cc1N=CN(C)C
- InChIKey
- WIUQTTCGYDCFAS-UHFFFAOYSA-N
- 分子式
- C19H22N2O4
- 平均分子量
- 342.4 g/mol
- 单同位素质量
- 342.15795719
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 60.4 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 8
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 435
ALIASES
名称与别名
263149-09-3(E)-methyl 4-(benzyloxy)-2-((dimethylamino)methyleneamino)-5-methoxybenzoatemethyl 4-(benzyloxy)-2-((dimethylamino)methyleneamino)-5-methoxybenzoatemethyl 2-(dimethylaminomethylideneamino)-5-methoxy-4-phenylmethoxybenzoateBenzoic acid, 2-[[(dimethylamino)methylene]amino]-5-methoxy-4-(phenylmethoxy)-, methyl esterSCHEMBL1892855SCHEMBL1892856WIUQTTCGYDCFAS-DEDYPNTBSA-NWIUQTTCGYDCFAS-UHFFFAOYSA-NMethyl 4-(benzyloxy)-2-(((dimethylamino)methylene)amino)-5-methoxybenzoateDB-255229Methyl 4-benzyloxy-2-(dimethylaminomethyleneamino)-5-methoxybenzoateMethyl4-(benzyloxy)-2-(((dimethylamino)methylene)amino)-5-methoxybenzoate(E)-methyl-4-(benzyloxy)-2-((dimethylamino)methyleneamino)-5-methoxybenzoate
REACTIONS
参与反应
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