CAS 154590-66-6 (S)-N-((3-(3-fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide (HCID 10520848)

基本情報

CAS: 154590-66-6
標準SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1
InChIKey: DSRPYQXHWUDRBP-ZDUSSCGKSA-N
分子式: C16H21FN4O3
平均分子量: 336.36 g/mol
単同位体質量: 336.15976875

名称と識別子

優先名称: (S)-N-((3-(3-fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
IUPAC: N-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
英語名: (S)-N-((3-(3-Fluoro-4-piperazin-1-ylphenyl)-2-oxooxazolidin-5-yl)Methyl)-acetaMide
分子式: C16H21FN4O3
分子量: 336.36

名称と別名

154590-66-6(S)-N-((3-(3-fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamideN-[[(5S)-3-[3-Fluoro-4-(1-piperazinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamideMFCD18089805(S)-N-((3-(3-Fluoro-4-piperazin-1-ylphenyl)-2-oxooxazolidin-5-yl)Methyl)-acetaMideN-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamideN-{[(5S)-3-[3-FLUORO-4-(PIPERAZIN-1-YL)PHENYL]-2-OXO-1,3-OXAZOLIDIN-5-YL]METHYL}ACETAMIDEC16H21FN4O3Acetamide,N-[[(5S)-3-[3-fluoro-4-(1-piperazinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-(S)-N-[[3-[3-Fluoro-4-(piperazin-1-yl)phenyl]-2-oxooxazolidin-5-yl]methyl]acetamideDSRPYQXHWUDRBP-ZDUSSCGKSA-NN-({(5S)-3-[3-Fluoro-4-(piperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide

名称をさらに表示

N-[[(S)-3-[3-Fluoro-4-(piperazin-1-yl)phenyl]-2-oxooxazolidin-5-yl]methyl]acetamide(S)-N-((3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide - [F92132]

SCHEMBL1894257CHEMBL1651124DTXSID00441237AKOS015924505AKOS015995158BS-15714SY289759DB-328156

物性

構造計算による物性

XLogP: 0.4
極性表面積: 73.9 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 24
形式電荷: 0
複雑度: 472

物理化学的性質

沸点: 587.3 · 587.3±50.0 °C(Predicted)
比重(密度): 1.273 · 1.273±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 15.53 · 15.53±0.46(Predicted)
InChI: InChI=1S/C16H21FN4O3/c1-11(22)19-9-13-10-21(16(23)24-13)12-2-3-15(14(17)8-12)20-6-4-18-5-7-20/h2-3,8,13,18H,4-7,9-10H2,1H3,(H,19,22)/t13-/m0/s1
InChIKey: DSRPYQXHWUDRBP-ZDUSSCGKSA-N
SMILES: C(NC[C@@H]1OC(=O)N(C2=CC=C(N3CCNCC3)C(F)=C2)C1)(=O)C