Dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(2-phenoxyacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
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기본 정보
- CAS
303101-76-0- 표준 SMILES
CCOc1cccc2c1N(C(=O)COc1ccccc1)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1- InChIKey
NQQLVBDHEMUBAZ-UHFFFAOYSA-N- 분자식
- C28H27NO7S3
- 평균 분자량
- 585.7 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(2-phenoxyacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(2-phenoxyacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(8-(ethyloxy)-2,2-dimethyl-1-[(phenyloxy)acetyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C28H27NO7S3
- 분자량
- 585.71
이름 및 동의어
dimethyl 2-(8-(ethyloxy)-2,2-dimethyl-1-[(phenyloxy)acetyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateSTK789081AKOS005610711dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(2-phenoxyacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateAG-690/09014063dimethyl 2-(8-ethoxy-2,2-dimethyl-1-(2-phenoxyacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateDIMETHYL 2-[8-ETHOXY-2,2-DIMETHYL-1-(2-PHENOXYACETYL)-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATEdimethyl 2-[8-ethoxy-2,2-dimethyl-1-(phenoxyacetyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[8-ethoxy-2,2-dimethyl-1-(phenoxyacetyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[8-ethoxy-2,3-dihydro-2,2-dimethyl-1-(2-phenoxyacetyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
- CAS
303101-76-0
물성
구조 계산 물성보충 중
- XLogP
- 5.4
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,030
물리화학적 성질
- 끓는 점
- 727.7 · 727.7±70.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.85 · -0.85±0.40(Predicted)
관련 반응
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