基本信息
- CAS
313248-45-2- 标准SMILES
CCOC(=O)c1c(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)sc2c1CCC(C)C2- InChIKey
KQDIECARRASPPS-UHFFFAOYSA-N- 分子式
- C24H21F3N4O4S
- 平均分子量
- 518.5 g/mol
名称与标识
- 首选名称
- Ethyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 英文名
- ethyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 分子式
- C24H21F3N4O4S
- 分子量
- 518.51
名称与别名
ethyl 2-({[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-({[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateKQDIECARRASPPS-UHFFFAOYSA-NSCHEMBL1718160STL330739AKOS002077484AKOS021628590ethyl 2-[[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/37129052SR-01000550949SR-01000550949-1ethyl 2-(5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
展开更多名称
Benzo[b]thiophene-3-carboxylic acid, 2-[[[5-(2-furanyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-4,5,6,7-tetrahydro-6-methyl-, ethyl ester
ETHYL 2-[5-(FURAN-2-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-AMIDO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
性质
结构计算性质
- XLogP
- 5.6
- 极性表面积
- 127 Ų
- 氢键供体
- 1
- 氢键受体
- 10
- 可旋转键
- 6
- 重原子
- 36
- 形式电荷
- 0
- 复杂度
- 836
物理化学性质
- 密度
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 酸度系数(pKa)
- 6.35 · 6.35±0.40(Predicted)
化学与工业
供应商3 家
相关反应
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化合物笔记
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