CAS 917389-18-5 4-Quinazolineacetic acid, 2-chloro-8-fluoro-3,4-dihydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, methyl ester (HCID 12002073)

基本情報

CAS: 917389-18-5
標準SMILES: COC(=O)CC1c2cccc(F)c2N=C(Cl)N1c1cc(C(F)(F)F)ccc1OC
InChIKey: VRUCYVSBVGTFGX-UHFFFAOYSA-N
分子式: C19H15ClF4N2O3
平均分子量: 430.8 g/mol

名称と識別子

優先名称: 4-Quinazolineacetic acid, 2-chloro-8-fluoro-3,4-dihydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, methyl ester
IUPAC: methyl 2-[2-chloro-8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetate
英語名: VRUCYVSBVGTFGX-UHFFFAOYSA-N
分子式: C19H15ClF4N2O3
分子量: 430.78

名称と別名

917389-18-54-Quinazolineacetic acid, 2-chloro-8-fluoro-3,4-dihydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, methyl estermethyl 2-(2-chloro-8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-3,4-dihydroquinazolin-4-yl)acetateMethyl 2-[2-chloro-8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-yl]acetateLetermovir impurity 1292UGR2JLC8TSCHEMBL8746742DB-198409Methyl {2-chloro-8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-yl}acetateMethyl 2-(2-chloro-8-fluoro-3-(5-(trifluoromethyl)-2-methoxyphenyl)-3,4-dihydroquinazolin-4-yl)acetateMethyl 2-chloro-8-fluoro-3,4-dihydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4-quinazolineacetateMethyl{2-chloro-8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-yl}acetate

名称をさらに表示

RMA-2LeterMovir-018Letermovir Impurity 37LeterMovir Impurity 21VRUCYVSBVGTFGX-UHFFFAOYSA-NMethyl 2-(2-chloro-8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-4H-quinazolin-4-yl)acetate

物性

構造計算による物性

XLogP: 4.4
極性表面積: 51.1 Å²
水素結合供与体数: 0
水素結合受容体数: 8
回転可能結合数: 5
重原子数: 29
形式電荷: 0
複雑度: 633

物理化学的性質

沸点: 479.3 · 479.3±55.0 °C(Predicted)
比重(密度): 1.42 · 1.42±0.1 g/cm3(Predicted)
酸解離定数(Pka): -1.59 · -1.59±0.20(Predicted)

化学と産業

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济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]

化合物ノート

読み込み中…

4-Quinazolineacetic acid, 2-chloro-8-fluoro-3,4-dihydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, methyl ester