기본 정보
- CAS
351223-75-1- 표준 SMILES
CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)c1cccc(OC)c1- InChIKey
FIOYVYMEHDETAU-UHFFFAOYSA-N- 분자식
- C28H27NO7S3
- 평균 분자량
- 585.7 g/mol
- 단동위원소 질량
- 585.09496572
이름 및 식별자
- 우선 이름
- Dimethyl 2-[6-ethoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[6-ethoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(6-ethoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C28H27NO7S3
- 분자량
- 585.71
이름 및 동의어
dimethyl 2-(6-ethoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[6-ethoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylateCBMicro_037075STK789681AKOS003927114dimethyl 2-[6-ethoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateBIM-0037028.P001AJ-292/13095054dimethyl 2-(6-ethoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{6-ethoxy-1-[(3-methoxyphenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[6-ethoxy-2,3-dihydro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
- CAS
351223-75-1
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,060
물리화학적 성질
- 끓는 점
- 700.3 · 700.3±70.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.6 · -2.60±0.40(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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