기본 정보
- CAS
303179-69-3- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3cc(C)ccc32)S1- InChIKey
JKLYVBXHALZCEO-UHFFFAOYSA-N- 분자식
- C29H24N2O7S3
- 평균 분자량
- 608.7 g/mol
- 단동위원소 질량
- 608.07456463
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,2,7-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]-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C29H24N2O7S3
- 분자량
- 608.71
이름 및 동의어
ZINC8395918dimethyl 2-(1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateCDS1_002905ChemDiv1_022681DivK1c_003945HMS651G21MFCD01051530STK079718ZINC08395918AKOS000618038dimethyl 2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateZINC000008395918
이름 더 보기
dimethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-2,3-dihydro-2,2,7-trimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
EU-0073433ST50103046AK-968/11565277SR-01000449830SR-01000449830-1CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CN4C(=O)C5=CC=CC=C5C4=O)(C)Cdimethyl 2-(1-(2-(1,3-dioxoisoindolin-2-yl)acetyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
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
화학 및 산업
공급사3 곳
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