HCID21289952

7-chloro-4,5-dihydro-3-(hydroxymethyl)-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one

7-chloro-3-(hydroxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C13H12ClN3O2277.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CN1Cc2c(CO)ncn2-c2cccc(Cl)c2C1=O
InChIKey: MICPWRMRNNGSDM-UHFFFAOYSA-N
分子式: C13H12ClN3O2
平均分子量: 277.7 g/mol
单同位素质量: 277.0618043

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 58.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 19
形式电荷: 0
复杂度: 368

ALIASES

名称与别名

共 4 条

SCHEMBL10625644MICPWRMRNNGSDM-UHFFFAOYSA-N7-chloro-4,5-dihydro-3-hydroxymethyl-5methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one7-chloro-4,5-dihydro-3-(hydroxymethyl)-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one

REACTIONS

参与反应

4 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID223228

uspto-grants-1982_10

作为反应物

uspto-grants-1982_10 · 10.6084/m9.figshare.5104873.v1 · US04352818

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HRID838648

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID867559

uspto-grants-1988_10

作为反应物

uspto-grants-1988_10 · 10.6084/m9.figshare.5104873.v1 · US04775671

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HRID1202942

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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