N-(2-{1-[(4-Fluoro-3-methylphenyl)sulfonyl]-2-piperidinyl}ethyl)-N'-[2-(4-morpholinyl)ethyl]ethanediamide(CAS番号:898426-20-5)

基本情報

N-(2-{1-[(4-Fluoro-3-methylphenyl)sulfonyl]-2-piperidinyl}ethyl)-N'-[2-(4-morpholinyl)ethyl]ethanediamide

CAS番号

898426-20-5

分子式

C22H33FN4O5S

分子量

484.58 g/mol

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基本的な物理特性

密度

1.257±0.06 g/cm3(Predicted)

SMILES

Cc1cc(ccc1F)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCCN3CCOCC3

InChI

InChI=1S/C22H33FN4O5S/c1-17-16-19(5-6-20(17)23)33(30,31)27-10-3-2-4-18(27)7-8-24-21(28)22(29)25-9-11-26-12-14-32-15-13-26/h5-6,16,18H,2-4,7-15H2,1H3,(H,24,28)(H,25,29)

InChIKey

WUVMKRDKTNUIMI-UHFFFAOYSA-N

LogP

0.6320200000000029

pKa

12.81±0.46(Predicted)

トポロジカル極性表面積

108.05000000000001 Ų

水素結合ドナー/アクセプター

2 / 9

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

  • Ethanediamide, N1-[2-[1-[(4-fluoro-3-methylphenyl)sulfonyl]-2-piperidinyl]ethyl]-N2-[2-(4-morpholinyl)ethyl]-
  • N-{2-1-(4-fluoro-3-methylbenzenesulfonyl)piperidin-2-ylethyl}-N'-2-(morpholin-4-yl)ethylethanediamide

CAS番号

898426-20-5

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