기본 정보
- CAS
352659-36-0- 표준 SMILES
Cc1cc(C)nc(SCC(=O)N2c3ccccc3C(C)(c3ccc(Cl)cc3)CC2(C)C)n1- InChIKey
JQLRLMDXTDGUQJ-UHFFFAOYSA-N- 분자식
- C26H28ClN3OS
- 평균 분자량
- 466 g/mol
- 단동위원소 질량
- 465.1641614
이름 및 식별자
- 우선 이름
- 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
- IUPAC
- 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
- 영어명
- 4-(4-chlorophenyl)-1-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
- 분자식
- C26H28ClN3OS
- 분자량
- 466.04
이름 및 동의어
352659-36-01-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoneOprea1_326954STK021933AKOS001630199AKOS0163012464-(4-chlorophenyl)-1-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolineST50104261AJ-292/14596071SR-01000453890SR-01000453890-11-(4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)-2-((4,6-dimethylpyrimidin-2-yl)thio)ethanone
이름 더 보기
Ethanone, 1-[4-(4-chlorophenyl)-3,4-dihydro-2,2,4-trimethyl-1(2H)-quinolinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]-
1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethanone2-(4,6-dimethylpyrimidin-2-ylthio)-1-[4-(4-chlorophenyl)-2,2,4-trimethyl(1,2,3 ,4-tetrahydroquinolyl)]ethan-1-one
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 71.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 657
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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