uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741337B2
查看![1-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}-3-[allyl]thiourea 分子结构式](/api/mol/16718043/svg/360x280.svg)
HCID16718043
1-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}-3-[allyl]thiourea
1-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-3-yl]-3-prop-2-enylthiourea
C24H24N4O2S432.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C=CCNC(=S)Nc1cccc2cc3cccc4c3c(c12)C(=O)N(CCN(C)C)C4=O
- InChIKey
- HXGKUWKJQCAEEQ-UHFFFAOYSA-N
- 分子式
- C24H24N4O2S
- 平均分子量
- 432.5 g/mol
- 单同位素质量
- 432.16199719
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 96.8 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 6
- 重原子
- 31
- 形式电荷
- 0
- 复杂度
- 726
ALIASES
名称与别名
SCHEMBL3297174HXGKUWKJQCAEEQ-UHFFFAOYSA-N1-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}-3-[allyl]thiourea
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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