当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_449911,Oprea1_473333,ASN 04426486, 7-ethyl-8-[2-[4-(4-methoxyph

Oprea1_449911,Oprea1_473333,ASN 04426486, 7-ethyl-8-[2-[4-(4-methoxyph

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:399
摘 要:Oprea1_449911,Oprea1_473333,ASN 04426486, 7-ethyl-8-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,,3-dimethylpurine-2,6-dione,Canonical SMILES: CCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C,InChI: InChI=1/C22H28N6O4S/
[Synonyms]
Oprea1_449911
Oprea1_473333
ASN 04426486

[Structure]
Oprea1_449911,Oprea1_473333,ASN 04426486, 7-ethyl-8-[2-[4-(4-methoxyph

[ Properties Computed from Structure]
Molecular Weight472.56052 [g/mol]
Molecular FormulaC22H28N6O4S
XLogP1.5
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count6
Exact Mass472.189274
MonoIsotopic Mass472.189274
Topological Polar Surface Area91.2
Heavy Atom Count33
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 7-ethyl-8-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,
3-dimethylpurine-2,6-dione
Canonical SMILES: CCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C
InChI: InChI=1/C22H28N6O4S/c1-5-28-18-19(24(2)22(31)25(3)20(18)30)23-21(28)33-
14-17(29)27-12-10-26(11-13-27)15-6-8-16(32-4)9-7-15/h6-9H,5,10-14H2,
1-4H3

 
本文导航:
  • (1) Oprea1_449911,Oprea1_473333,ASN 04426486, 7-ethyl-8-[2-[4-(4-methoxyph
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注