112559-69-0 (2-[2-(3-氧代丁基)]-4-{4-[4-(4-羟基苯基)-哌嗪-1-基]-苯基}-2,4-二氢-[1,2,4-噻唑-3-酮,2-2-(3-Oxobutyl)-4-{4-4-(4-hydroxyphenyl)-piperazin-1-yl-phenyl}-2,4-dihydro-1,2,4-triazol-3-one)

CAS号:
112559-69-0
中文名称:
2-[2-(3-氧代丁基)]-4-{4-[4-(4-羟基苯基)-哌嗪-1-基]-苯基}-2,4-二氢-[1,2,4-噻唑-3-酮
英文名称:
2-2-(3-Oxobutyl)-4-{4-4-(4-hydroxyphenyl)-piperazin-1-yl-phenyl}-2,4-dihydro-1,2,4-triazol-3-one
分子式:
C22H25N5O3
分子量:
407.465604543686

2-[2-(3-氧代丁基)]-4-{4-[4-(4-羟基苯基)-哌嗪-1-基]-苯基}-2,4-二氢-[1,2,4-噻唑-3-酮(112559-69-0)名称与标识符

名称

中文别名:
2-[2-(3-氧代丁基)]-4-{4-[4-(4-羟基苯基)-哌嗪-1-基]-苯基}-2,4-二氢-[1,2,4-噻唑-3-酮;
英文别名:
2-[2-(3-Oxobutyl)]-4-{4-[4-(4-hydroxyphenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4-triazol-3-on;2-[2-(3-Oxobutyl)]-4;(+-)-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methyl-2-oxopropyl)-3H-1,2,4-triazol-3-one;2-[2-(3-OXOBUTYL)]-4-{4-[4-(4-HYDROXYPHENYL)-PIPERAZIN-1-YL]-PHENYL}-2,4-DIHYDRO-[1,2,4-TRIAZOL-3-ONE;2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-Methyl-2-oxopropyl)-3H-1,2,4-triazol-3-one;

标识符

InChIKey:
VGUXNOOELCKLSJ-UHFFFAOYSA-N
Inchi:
1S/C22H25N5O3/c1-16(17(2)28)27-22(30)26(15-23-27)20-5-3-18(4-6-20)24-11-13-25(14-12-24)19-7-9-21(29)10-8-19/h3-10,15-16,29H,11-14H2,1-2H3
SMILES:
c1cc(O)ccc1N1CCN(c2ccc(N3C=NN(C(C(C)=O)C)C3=O)cc2)CC1

2-[2-(3-氧代丁基)]-4-{4-[4-(4-羟基苯基)-哌嗪-1-基]-苯基}-2,4-二氢-[1,2,4-噻唑-3-酮(112559-69-0)物化性质

实验特性

  • LogP : 2.34620
  • PSA : 83.60000

计算特性

  • 精确分子量 : 407.19600