기본 정보
- CAS
799799-35-2- 표준 SMILES
COc1ccc(C2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1OC- InChIKey
DKUAHRQECQEXON-UHFFFAOYSA-N- 분자식
- C22H20FN3O4S
- 평균 분자량
- 441.5 g/mol
이름 및 식별자
- 우선 이름
- 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide
- IUPAC
- 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
- 영어명
- 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide
- 분자식
- C22H20FN3O4S
- 분자량
- 441.48
이름 및 동의어
799799-35-22-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamideSTK849979STK886387AKOS000607241AKOS005628943AKOS022091209NCGC00274518-012-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamideST50291091
이름 더 보기
Acetamide, 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-N-(2-fluorophenyl)-
AB01278441-01F1362-01532-[4-(3,4-dimethoxyphenyl)-3-cyano-6-oxo(2-1,4,5-trihydropyridylthio)]-N-(2-fl uorophenyl)acetamide
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 752
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
VITAS-BB—
IFLAB-BB[email protected]
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