기본 정보
- CAS
331640-27-8- 표준 SMILES
CCCCCC(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OCC)=C(C(=O)OCC)S2)C(=S)C1(C)C- InChIKey
BCIQLYUNQTUFSV-UHFFFAOYSA-N- 분자식
- C27H33NO6S3
- 평균 분자량
- 563.8 g/mol
- 단동위원소 질량
- 563.14700129
이름 및 식별자
- 우선 이름
- Diethyl 2-(1-hexanoyl-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- diethyl 2-(1-hexanoyl-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate
- 영어명
- diethyl 2-(1-hexanoyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C27H33NO6S3
- 분자량
- 563.75
이름 및 동의어
diethyl 2-(1-hexanoyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatediethyl 2-(1-hexanoyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylateSTK789395AKOS000617938diethyl 2-(1-hexanoyl-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylateST50337964AG-690/12002170ethyl 5-(ethoxycarbonyl)-2-(1-hexanoyl-6-methoxy-2,2-dimethyl-3-thioxo(4-1,2-d ihydroquinolylidene))-1,3-dithiolene-4-carboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-6-methoxy-2,2-dimethyl-1-(1-oxohexyl)-3-thioxo-4(1H)-quinolinylidene]-, 4,5-diethyl ester
데이터베이스 식별자
- CAS
331640-27-8- PubChem CID
- 3117931
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 957
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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