기본 정보
- CAS
332019-55-3- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)COc3nc4ccccc4s3)c3cc(C)ccc32)S1- InChIKey
LUSOUDDLJZUJDJ-UHFFFAOYSA-N- 분자식
- C28H24N2O6S4
- 평균 분자량
- 612.8 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-[2-(1,3-benzothiazol-2-yloxy)acetyl]-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-[2-(1,3-benzothiazol-2-yloxy)acetyl]-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-[(1,3-benzothiazol-2-yloxy)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C28H24N2O6S4
- 분자량
- 612.76
이름 및 동의어
dimethyl 2-(1-[(1,3-benzothiazol-2-yloxy)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateCHEMBL4896130STK789473AKOS000620127dimethyl 2-[1-[2-(1,3-benzothiazol-2-yloxy)acetyl]-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50240520AK-968/12116166dimethyl 2-(1-(2-(benzo[d]thiazol-2-yloxy)acetyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(1,3-benzothiazol-2-yloxy)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylatemethyl 2-[1-(2-benzothiazol-2-yloxyacetyl)-2,2,7-trimethyl-3-thioxo(4-1,2-dihy droquinolylidene)]-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-[2-(2-benzothiazolyloxy)acetyl]-2,3-dihydro-2,2,7-trimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 206 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,120
물리화학적 성질
- 끓는 점
- 751.2 · 751.2±70.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.36 · 1.36±0.10(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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