7-butyl-3-methyl-8-[4-(2-phenylethyl)piperazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione(CAS番号:898408-40-7)

基本情報

7-butyl-3-methyl-8-[4-(2-phenylethyl)piperazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS番号

898408-40-7

分子式

C22H30N6O2

分子量

410.52 g/mol

Quick Actions

基本的な物理特性

SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)N1CCN(CCC2=CC=CC=C2)CC1

InChI

InChI=1S/C22H30N6O2/c1-3-4-11-28-18-19(25(2)22(30)24-20(18)29)23-21(28)27-15-13-26(14-16-27)12-10-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3,(H,24,29,30)

InChIKey

ITZNGCAJRTYPNU-UHFFFAOYSA-N

LogP

1.5880999999999998

トポロジカル極性表面積

79.16 Ų

水素結合ドナー/アクセプター

1 / 8

分類と用途

安全情報

安全情報を表示

同義語と参考文献

英語

  • 1H-Purine-2,6-dione, 7-butyl-3,7-dihydro-3-methyl-8-[4-(2-phenylethyl)-1-piperazinyl]-

CAS番号

898408-40-7

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