基本情報
- CAS
316360-25-5- 標準SMILES
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(OC)ccc2N(C(=O)c2ccc(F)cc2)C1(C)C- InChIKey
CGIJVUSLNGSLSD-UHFFFAOYSA-N- 分子式
- C32H28FNO10S3
- 平均分子量
- 701.8 g/mol
- 単同位体質量
- 701.08593777
名称と識別子
- 優先名称
- Tetramethyl 6'-[(4-fluorophenyl)carbonyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
- IUPAC
- tetramethyl 6'-(4-fluorobenzoyl)-9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
名称と別名
316360-25-5tetramethyl 6'-[(4-fluorophenyl)carbonyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateSpiro[1,3-dithiole-2,1'-[1H]thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylic acid, 6'-(4-fluorobenzoyl)-5',6'-dihydro-9'-methoxy-5',5'-dimethyl-, tetramethyl estertetramethyl 6'-(4-fluorobenzoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateDTXSID701099247STK789506AKOS005610788tetramethyl 6'-(4-fluorobenzoyl)-9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateAK-968/12116495Spiro[1,3-dithiole-2,1a(2)-[1H]thiopyrano[2,3-c]quinoline]-2a(2),3a(2),4,5-tetracarboxylic acid, 6a(2)-(4-fluorobenzoyl)-5a(2),6a(2)-dihydro-9a(2)-methoxy-5a(2),5a(2)-dimethyl-, tetramethyl estertetramethyl 6'-(4-fluorobenzoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-(1'H)-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
データベース識別子
- CAS
316360-25-5
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 211 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 14
- 回転可能結合数
- 10
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 1,440
関連反応
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