HCID58204208

2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-[1-(2-methoxy-ethyl)-piperidin-4-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

8-[1-(2-methoxyethyl)piperidin-4-yl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole

C24H31N5O2S453.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COCCN1CCC(c2ccc3c(c2)OCCc2sc(-c4ncnn4C(C)C)nc2-3)CC1
InChIKey: DBNULYBGMZZREE-UHFFFAOYSA-N
分子式: C24H31N5O2S
平均分子量: 453.6 g/mol
单同位素质量: 453.21984642

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 93.5 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 6
重原子: 32
形式电荷: 0
复杂度: 605

ALIASES

名称与别名

共 3 条

SCHEMBL1484748DBNULYBGMZZREE-UHFFFAOYSA-N2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-[1-(2-methoxy-ethyl)-piperidin-4-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

REACTIONS

参与反应

5 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09175009B2

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uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08673952B2

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uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08952043B2

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uspto-grants-2012_09 · 10.6084/m9.figshare.5104873.v1 · US08263633B2

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