기본 정보
- CAS
5303-82-2- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc(F)cc3)c3ccccc32)S1- InChIKey
XWBMZTOGVMTBCK-UHFFFAOYSA-N- 분자식
- C25H20FNO5S3
- 평균 분자량
- 529.6 g/mol
- 단동위원소 질량
- 529.04876442
이름 및 식별자
- 우선 이름
- dimethyl 2-{1-[(4-fluorophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(4-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
이름 및 동의어
5303-82-2304446-27-3dimethyl 2-{1-[(4-fluorophenyl)carbonyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylateDimethyl 2-[1-(4-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-(4-fluorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(4-fluorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylateChemDivAM_001171ChemDiv1_027955HMS666G15DTXSID60967529STK788982AKOS000616571
이름 더 보기
dimethyl 2-[1-(4-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateEU-0018921SR-01000528278SR-01000528278-1dimethyl 2-[1-(4-fluorobenzoyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 969
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