180903-23-5 ((1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(4-methoxyphenyl)-6-phenyl-)

CAS号:
180903-23-5
英文名称:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(4-methoxyphenyl)-6-phenyl-
分子式:
C22H23N5O
分子量:
373.450924158096

1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(4-methoxyphenyl)-6-phenyl-(180903-23-5)名称与标识符

名称

英文别名:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(4-methoxyphenyl)-6-phenyl-;1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-(4-methoxyphenyl)-6-phenyl-;

标识符

InChIKey:
RTBQGEUFQPDQOD-UHFFFAOYSA-N
Inchi:
1S/C22H23N5O/c1-22(2,3)27-21-17(18(26-27)14-10-12-16(28-4)13-11-14)19(23)24-20(25-21)15-8-6-5-7-9-15/h5-13H,1-4H3,(H2,23,24,25)
SMILES:
C1(C2=CC=CC=C2)=NC(N)=C2C(C3=CC=C(OC)C=C3)=NN(C(C)(C)C)C2=N1

1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(4-methoxyphenyl)-6-phenyl-(180903-23-5)物化性质

实验特性

  • PSA : 78.85
  • 沸点 : 509.4±50.0 °C(Predicted)
  • 酸度系数(pKa) : 4.14±0.30(Predicted)
  • 密度 : 1.23±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 373.19049