기본 정보
- CAS
331760-94-2- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cccc(Cl)c3)c3ccc(OC)cc32)S1- InChIKey
BSQSRBNUFSPNOQ-UHFFFAOYSA-N- 분자식
- C26H22ClNO6S3
- 평균 분자량
- 576.1 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(3-chlorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(3-chlorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(3-chlorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C26H22ClNO6S3
- 분자량
- 576.1
이름 및 동의어
dimethyl 2-(1-(3-chlorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateSTK789280AKOS000618356dimethyl 2-[1-(3-chlorobenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50234944AG-690/11453560dimethyl 2-(1-(3-chlorobenzoyl)-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(3-chlorophenyl)carbonyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-{1-[(3-chlorophenyl)carbonyl]-6-methoxy-2,2-dimethyl-3-thioxo(4-1,2-d ihydroquinolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(3-chlorobenzoyl)-2,3-dihydro-6-methoxy-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
- CAS
331760-94-2
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,030
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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