Dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
기본 정보
- CAS
330560-99-1- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3cccc(F)c3)c3c(C)cccc32)S1- InChIKey
WXNQWKBFOZOAIG-UHFFFAOYSA-N- 분자식
- C26H22FNO5S3
- 평균 분자량
- 543.7 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C26H22FNO5S3
- 분자량
- 543.65
이름 및 동의어
330560-99-1dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateCBMicro_016358CCG-5601STK012183AKOS000616961BIM-0016611.P001EU-0078244ST50220467AG-690/346490374,5-DIMETHYL 2-[1-(3-FLUOROBENZOYL)-2,2,8-TRIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE]-2H-1,3-DITHIOLE-4,5-DICARBOXYLATEdimethyl 2-(1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-(3-fluorobenzoyl)-2,3-dihydro-2,2,8-trimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
dimethyl 2-(1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(3-fluorophenyl)carbonyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-{1-[(3-fluorophenyl)carbonyl]-2,2,8-trimethyl-3-thioxo(4-1,2-dihydroq uinolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,010
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