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기본 정보
- CAS
309267-38-7- 표준 SMILES
CCOc1ccc2c(c1)N(C(=O)Cc1ccc(F)cc1)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1- InChIKey
VVOUBPAJNZGGQF-UHFFFAOYSA-N- 분자식
- C28H26FNO6S3
- 평균 분자량
- 587.7 g/mol
- 단동위원소 질량
- 587.09062923
이름 및 식별자
- 우선 이름
- Dimethyl 2-[7-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[7-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(7-ethoxy-1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C28H26FNO6S3
- 분자량
- 587.7
이름 및 동의어
dimethyl 2-(7-ethoxy-1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateChemDiv1_025772HMS660D10STK789497AKOS000620100dimethyl 2-[7-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50240533AK-968/37173222SR-01000525329SR-01000525329-1dimethyl 2-(7-ethoxy-1-(2-(4-fluorophenyl)acetyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{7-ethoxy-1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[7-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
dimethyl 2-{7-ethoxy-1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-{7-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,2-dimethyl-3-thioxo(4-1,2-di hydroquinolylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 5.4
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,050
물리화학적 성질
- 끓는 점
- 719.1 · 719.1±70.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.3 · -2.30±0.40(Predicted)
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