1141761-80-9 (3-(2-(4-((2,4-difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one,3-(2-(4-((2,4-difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one)

CAS号:
1141761-80-9
中文名称:
3-(2-(4-((2,4-difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
英文名称:
3-(2-(4-((2,4-difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
分子式:
C23H28F2N4O3
分子量:
446.490232467651

3-(2-(4-((2,4-difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one(1141761-80-9)名称与标识符

名称

英文别名:
3-(2-(4-((2,4-difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one;3-(2-{4-((2,4-difluorophenyl)hydroxyiminomethyl)piperidin-1-yl}ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one;4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-[(Z)-(2,4-difluorophenyl)(hydroxyimino)methyl]-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-; 3-[2-[4-[(Z)-(2,4-Difluorophenyl)(hydroxyimino)methyl]-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one;SCHEMBL3754907;Paliperidone E-oxime;3-[2-[4-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;1141761-80-9;1388021-46-2;Paliperidone Z-Oxime;

标识符

MDL:
MFCD24386302
InChIKey:
CLNKYXBDIXTFRW-SZXQPVLSSA-N
Inchi:
1S/C23H28F2N4O3/c1-14-17(23(31)29-9-2-3-20(30)22(29)26-14)8-12-28-10-6-15(7-11-28)21(27-32)18-5-4-16(24)13-19(18)25/h4-5,13,15,20,30,32H,2-3,6-12H2,1H3/b27-21+
SMILES:
FC1C=C(C=CC=1/C(/C1CCN(CCC2=C(C)N=C3C(CCCN3C2=O)O)CC1)=N/O)F

3-(2-(4-((2,4-difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one(1141761-80-9)物化性质

实验特性

  • LogP : 2.72800
  • PSA : 90.95000

计算特性

  • 精确分子量 : 446.21300
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 446.21294709Da
  • 重原子数量 : 32
  • 复杂度 : 807
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.3
  • 拓扑分子极性表面积 : 88.7Ų

3-(2-(4-((2,4-difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one(1141761-80-9)安全信息

3-(2-(4-((2,4-difluorophenyl)(hydroxyimino)methyl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one(1141761-80-9)推荐厂家 更多厂家(1)

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