기본 정보
- CAS
331760-97-5- 표준 SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)S1- InChIKey
PCKOLNLBABHZTG-UHFFFAOYSA-N- 분자식
- C31H25NO5S3
- 평균 분자량
- 587.7 g/mol
- 단동위원소 질량
- 587.08948642
이름 및 식별자
- 우선 이름
- Dimethyl 2-[2,2-dimethyl-1-(4-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[2,2-dimethyl-1-(4-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- 영어명
- dimethyl 2-(1-([1,1'-biphenyl]-4-ylcarbonyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- 분자식
- C31H25NO5S3
- 분자량
- 587.73
이름 및 동의어
dimethyl 2-[1-(biphenyl-4-ylcarbonyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylateCDS1_002987ChemDiv1_022763DivK1c_004027HMS651K15STK052662AKOS000618428dimethyl 2-[2,2-dimethyl-1-(4-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateST50102956AG-690/11480557SR-01000449787SR-01000449787-1
이름 더 보기
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-([1,1'-biphenyl]-4-ylcarbonyl)-2,3-dihydro-2,2-dimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
dimethyl 2-(1-([1,1'-biphenyl]-4-carbonyl)-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-([1,1'-biphenyl]-4-ylcarbonyl)-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-([1,1'-biphenyl]-4-carbonyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylatemethyl 2-{2,2-dimethyl-1-[(4-phenylphenyl)carbonyl]-3-thioxo(4-1,2-dihydroquin olylidene)}-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,080
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…