Dimethyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-8-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
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기본 정보
- CAS
331944-37-7- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)CCC3=O)c3c(OC)cccc32)S1- InChIKey
HDGVMJZHFUEPEP-UHFFFAOYSA-N- 분자식
- C25H24N2O8S3
- 평균 분자량
- 576.7 g/mol
- 단동위원소 질량
- 576.06947925
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-8-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-8-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-[(2,5-dioxo-1-pyrrolidinyl)acetyl]-8-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C25H24N2O8S3
- 분자량
- 576.66
이름 및 동의어
dimethyl 2-(1-[(2,5-dioxo-1-pyrrolidinyl)acetyl]-8-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateCDS1_002978ChemDiv1_022754DivK1c_004018CHEMBL4927001HMS651K06STK078881AKOS001620573dimethyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-8-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50103131AK-968/11658314SR-01000449876
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-[2-(2,5-dioxo-1-pyrrolidinyl)acetyl]-2,3-dihydro-8-methoxy-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
SR-01000449876-1dimethyl 2-(1-(2-(2,5-dioxopyrrolidin-1-yl)acetyl)-8-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-8-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-8-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-{1-[2-(2,5-dioxoazolidinyl)acetyl]-8-methoxy-2,2-dimethyl-3-thioxo(4- 1,2-dihydroquinolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,130
물리화학적 성질
- 끓는 점
- 776.2 · 776.2±70.0 °C(Predicted)
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.95 · -0.95±0.40(Predicted)
관련 반응
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