기본 정보
- CAS
332019-10-0- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CSc3nc4ccccc4o3)c3cc(C)c(C)cc32)S1- InChIKey
HRNOEOBMJBVMEM-UHFFFAOYSA-N- 분자식
- C29H26N2O6S4
- 평균 분자량
- 626.8 g/mol
이름 및 식별자
- 우선 이름
- Dimethyl 2-[1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C29H26N2O6S4
- 분자량
- 626.79
이름 및 동의어
dimethyl 2-(1-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylateSTK789427AKOS000617748dimethyl 2-[1-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateAK-968/12117279SR-01000449955SR-01000449955-14,5-DIMETHYL 2-{1-[2-(1,3-BENZOXAZOL-2-YLSULFANYL)ACETYL]-2,2,6,7-TETRAMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE}-2H-1,3-DITHIOLE-4,5-DICARBOXYLATEdimethyl 2-(1-(2-(benzo[d]oxazol-2-ylthio)acetyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-{1-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-[2-(2-benzoxazolylthio)acetyl]-2,3-dihydro-2,2,6,7-tetramethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 207 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,160
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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