Ethyl 2-{[{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}(oxo)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
基本情報
- CAS
315709-06-9- 標準SMILES
CCOC(=O)c1c(NC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CCC(C)C3)sc2c1CCC(C)C2- InChIKey
SGOHYFVMHGQJMR-UHFFFAOYSA-N- 分子式
- C26H32N2O6S2
- 平均分子量
- 532.7 g/mol
名称と識別子
- 優先名称
- Ethyl 2-{[{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}(oxo)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 英語名
- ethyl 2-{[{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}(oxo)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 分子式
- C26H32N2O6S2
- 分子量
- 532.67208
名称と別名
ethyl 2-{[{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}(oxo)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAKOS001054499AKOS016073548ethyl 2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50049948AF-399/15335342Z56882489ethyl 2-({N-[3-(ethoxycarbonyl)-6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2- yl)]carbamoyl}carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-ca rboxylate
データベース識別子
- CAS
315709-06-9
物性
構造計算による物性
- XLogP
- 7.3
- 極性表面積
- 167 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 8
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 788
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