Dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
기본 정보
- CAS
331840-85-8- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3c(C)cccc32)S1- InChIKey
MLFTWCYECCVMDR-UHFFFAOYSA-N- 분자식
- C29H24N2O7S3
- 평균 분자량
- 608.7 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C29H24N2O7S3
- 분자량
- 608.70506
이름 및 동의어
dimethyl 2-(1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateSTK508538AKOS000618065dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateAK-968/37053029DIMETHYL 2-[1-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETYL]-2,2,8-TRIMETHYL-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATEdimethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
데이터베이스 식별자
- CAS
331840-85-8
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 193 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,230
관련 반응
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