Chem
J-GLOBAL ID:200907027598979605   Nikkaji number:J829.384H

1-Acetyl-4-[4-[[(2S)-2-(2,4-dichlorophenyl)-2β-[3-(2-thiazolyl)propyl]-1,3-dioxolan-4β-yl]methoxy]phenyl]piperazine

1-アセチル-4-[4-[[(2S)-2-(2,4-ジクロロフェニル)-2β-[3-(2-チアゾリル)プロピル]-1,3-ジオキソラン-4β-イル]メトキシ]フェニル]ピペラジン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C28H31Cl2N3O4S
Molecular formula furigana: C28-H31-CL2-N3-O4-S
Molecular weight: 576.530
InChI: InChI=1S/C28H31Cl2N3O4S/c1-20(34)32-12-14-33(15-13-32)22-5-7-23(8-6-22)35-18-24-19-36-28(37-24,10-2-3-27-31-11-16-38-27)25-9-4-21(29)17-26(25)30/h4-9,11,16-17,24H,2-3,10,12-15,18-19H2,1H3/t24-,28-/m0/s1
InChI key: LKJNBUVTFXYXFY-CUBQBAPOSA-N
SMILES: CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](CCCc3nccs3)(O2)c2ccc(Cl)cc2Cl)cc1
Systematic name  (3):
  • 1-アセチル-4-[4-[[(2S)-2-(2,4-ジクロロフェニル)-2β-[3-(2-チアゾリル)プロピル]-1,3-ジオキソラン-4β-イル]メトキシ]フェニル]ピペラジン
  • 1-[4-(4-{[(2S,4S)-2-(2,4-ジクロロフェニル)-2-[3-(1,3-チアゾール-2-イル)プロピル]-1,3-ジオキソラン-4-イル]メトキシ}フェニル)ピペラジン-1-イル]エタン-1-オン
  • 1-[4-(4-{[(2S,4S)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one
Other name (1):
  • 1-Acetyl-4-[4-[[(2S)-2-(2,4-dichlorophenyl)-2β-[3-(2-thiazolyl)propyl]-1,3-dioxolan-4β-yl]methoxy]phenyl]piperazine
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