HCID20026034

3-(4-chloro-2-fluoro-5-isopropoxyphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidine-2,4(3H)-dione

3-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

C16H16ClFN2O3338.76 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)Oc1cc(-n2c(=O)[nH]c3c(c2=O)CCC3)c(F)cc1Cl
InChIKey: IIBJNFQJQNIZBU-UHFFFAOYSA-N
分子式: C16H16ClFN2O3
平均分子量: 338.76 g/mol
单同位素质量: 338.0833482

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 58.6 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 23
形式电荷: 0
复杂度: 551

ALIASES

名称与别名

共 4 条

SCHEMBL10575094IIBJNFQJQNIZBU-UHFFFAOYSA-N3-(4-chloro-2-fluoro-5-isopropoxyphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidine-2,4(3H)-dione3-(4-chloro-2-fluoro-5-isopropoxyphenyl)-1,5,6,7-tetrahydro-2H-cyclopenta[d]pyrimidine-2,4(3H)dione

REACTIONS

参与反应

3 条

uspto-grants-1989_08 · 10.6084/m9.figshare.5104873.v1 · US04859229

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uspto-grants-1989_08 · 10.6084/m9.figshare.5104873.v1 · US04859229

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

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