Methyl 5-(4-chlorophenyl)-3-(dimethylaminomethyleneamino)thiophene-2-carboxylate
基本情報
- 標準SMILES
COC(=O)c1sc(-c2ccc(Cl)cc2)cc1N=CN(C)C- InChIKey
ALWFLYMKFZJTBB-UHFFFAOYSA-N- 分子式
- C15H15ClN2O2S
- 平均分子量
- 322.8 g/mol
- 単同位体質量
- 322.0542766
名称と識別子
- 優先名称
- Methyl 5-(4-chlorophenyl)-3-(dimethylaminomethyleneamino)thiophene-2-carboxylate
- IUPAC
- methyl 5-(4-chlorophenyl)-3-(dimethylaminomethylideneamino)thiophene-2-carboxylate
名称と別名
methyl 5-(4-chlorophenyl)-3-{[(1E)-(dimethylamino)methylene]amino)thiophene-2-carboxylateMethyl 5-(4-chlorophenyl)-3-{[(1E)-(dimethylamino)methylene]amino}thiophene-2-carboxylateMethyl 5-(4-chlorophenyl)-3-{[(E)-(dimethylamino)methylidene]amino)-2-thiophenecarboxylateMethyl 5-(4-chlorophenyl)-3-{[(E)-(dimethylamino)methylidene]amino}-2-thiophenecarboxylateSCHEMBL1531291SCHEMBL1531292SCHEMBL5255875ALWFLYMKFZJTBB-RQZCQDPDSA-NALWFLYMKFZJTBB-UHFFFAOYSA-NDB-196044(E)-methyl 5-(4-chlorophenyl)-3-((dimethylamino)methylene-amino)thiophene-2-carboxylate5-(4-Chlorophenyl)-3-(dimethylamino-methyleneamino)-thiophene-2-carboxylic acid methyl ester
名称をさらに表示
5-(4-Chlorophenyl)-3-(dimethylaminomethyleneamino)thiophene-2-carboxylic acid methyl esterMethyl 5-(4-chlorophenyl)-3-((dimethylamino)-methyleneamino)thiophene-2-carboxylatemethyl 5-(4-chlorophenyl)-3-((dimethylamino)methylene-amino)-thiophene-2-carboxylateMethyl 5-(4-chlorophenyl)-3-((dimethylamino)methyleneamino)thiophene-2-carboxylatemethyl 5-(4-chlorophenyl)-3-(dimethylaminomethyleneamino)thiophene-2-carboxylatemethyl 5-(4-chlorophenyl)-3-{[(1E)-(dimethylamino)methylidene]amino}thiophene-2-carboxylatemethyl 5-(4-chlorophenyl)-3-{[(dimethylamino)methylidene]amino]2-thiophenecarboxylate5-(4-Chloro-phenyl)-3-(dimethylamino-methyleneamino)-thiophene-2-carboxylic acid methyl ester
データベース識別子
- PubChem CID
- 11544322
- Nikkaji
- J2.413.228E
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 70.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 384
関連反応
19 件
化合物ノート
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