Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1c(-c2ccc(F)cc2)nc(O)nc1C(C)C
- InChIKey
- KWWCLAUZCCGNHS-UHFFFAOYSA-N
- 分子式
- C15H15FN2O3
- 平均分子量
- 290.29 g/mol
- 单同位素质量
- 290.10667051
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 67.8 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 21
- 形式电荷
- 0
- 复杂度
- 503
物化、安全与法规信息正在同步。
ALIASES
名称与别名
488798-37-4Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylateRefChem:356216Methyl 4-(4-fluorophenyl)-2-hydroxy-6-isopropylpyrimidine-5-carboxylatemethyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1,2-dihydropyrimidine-5-carboxylateMethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxylatemethyl 4-(4-fluorophenyl)-2-hydroxy-6-(propan-2-yl)pyrimidine-5-carboxylate5-PyriMidinecarboxylic acid, 4-(4-fluorophenyl)-1,2-dihydro-6-(1-Methylethyl)-2-oxo-, Methyl esterSCHEMBL1751791SCHEMBL30716573SCHEMBL31676677DTXSID90468337KWWCLAUZCCGNHS-UHFFFAOYSA-NMFCD27665415AKOS022172897methyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1H-pyrimidine-5-carboxylateSB58705AS-74688F208984-(4-fluorophenyl)-2-hydroxy-6-isopropyl-5-methoxycarbonylpyrimidine
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304156B2
查看uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304156B2
查看uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304156B2
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