기본 정보
- CAS
331973-53-6- 표준 SMILES
CCOc1cccc2c1N(C(=O)CN1C(=O)c3cccc4cccc(c34)C1=O)C(C)(C)c1ssc(=S)c1-2- InChIKey
MQJGEZGTUZWIPH-UHFFFAOYSA-N- 분자식
- C28H22N2O4S3
- 평균 분자량
- 546.7 g/mol
- 단동위원소 질량
- 546.07417071
이름 및 식별자
- 우선 이름
- 2-[2-(6-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
- IUPAC
- 2-[2-(6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]benzo[de]isoquinoline-1,3-dione
- 영어명
- 2-[2-(6-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
- 분자식
- C28H22N2O4S3
- 분자량
- 546.68
이름 및 동의어
331973-53-62-[2-(6-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dioneZINC6631343ZINC066313432-[2-(6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]benzo[de]isoquinoline-1,3-dioneMFCD01137982STK031120AKOS000618293ZINC000006631343ST50103186AG-690/11838242SR-01000449898
이름 더 보기
1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-(6-ethoxy-1,4-dihydro-4,4-dimethyl-1-thioxo-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-
SR-01000449898-1CCOc1cccc2c1N(C(=O)Cn1c(=O)c3cccc4c3c(c1=O)ccc4)C(c1c2c(=S)ss1)(C)CCCOC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O2(2(6ETHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)2OXOETHYL)BENZO(DE)ISOQUINOLINE13DIONE2(2(6ETHOXY44DIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)2OXOETHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE2(2(6ethoxy44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)2oxoethyl)1Hbenzo(de)isoquinoline13(2H)dione2-(2-(6-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-2-oxoethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione2-[2-(6-ethoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,030
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…