기본 정보
- CAS
371223-54-0- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)C4CCCCC4C3=O)c3cc(C)c(C)cc32)S1- InChIKey
PPXZRVSXUFSTDP-UHFFFAOYSA-N- 분자식
- C30H32N2O7S3
- 평균 분자량
- 628.8 g/mol
- 단동위원소 질량
- 628.13716488
이름 및 식별자
- 우선 이름
- dimethyl 2-(1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C30H32N2O7S3
- 분자량
- 628.78
이름 및 동의어
dimethyl 2-(1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateSTK789601AKOS005610789dimethyl 2-[1-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateAK-968/12249298dimethyl 2-(1-(2-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)acetyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-2,2,6,7-tetramethyl-1-[2-(octahydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
- CAS
371223-54-0
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 193 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,270
물리화학적 성질
- 끓는 점
- 815.8 · 815.8±75.0 °C(Predicted)
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.37 · -1.37±0.40(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…