295330-38-0 ((1-Piperazinecarboxylic acid, 4-[3-[[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]propyl]-, 1,1-dimethylethyl ester)

CAS号:
295330-38-0
英文名称:
1-Piperazinecarboxylic acid, 4-[3-[[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]propyl]-, 1,1-dimethylethyl ester
分子式:
C27H33ClFN5O4
分子量:
546.033428907394

1-Piperazinecarboxylic acid, 4-[3-[[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]propyl]-, 1,1-dimethylethyl ester(295330-38-0)名称与标识符

名称

英文别名:
1-Piperazinecarboxylic acid, 4-[3-[[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]propyl]-, 1,1-dimethylethyl ester;

标识符

InChIKey:
CCUBSRIJTUVPHS-UHFFFAOYSA-N
Inchi:
1S/C27H33ClFN5O4/c1-27(2,3)38-26(35)34-11-9-33(10-12-34)8-5-13-37-24-15-19-22(16-23(24)36-4)30-17-31-25(19)32-18-6-7-21(29)20(28)14-18/h6-7,14-17H,5,8-13H2,1-4H3,(H,30,31,32)
SMILES:
N1(C(OC(C)(C)C)=O)CCN(CCCOC2C(OC)=CC3C(C=2)=C(NC2=CC=C(F)C(Cl)=C2)N=CN=3)CC1

1-Piperazinecarboxylic acid, 4-[3-[[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]propyl]-, 1,1-dimethylethyl ester(295330-38-0)物化性质

实验特性

  • 沸点 : 648.4±55.0 °C(Predicted)
  • 酸度系数(pKa) : 6.85±0.10(Predicted)
  • 密度 : 1.284±0.06 g/cm3(Predicted)