기본 정보
- 표준 SMILES
COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1F- InChIKey
YFHNTSKEUUUEDI-UHFFFAOYSA-N- 분자식
- C21H15ClFN5OS
- 평균 분자량
- 439.9 g/mol
이름 및 식별자
- 우선 이름
- 4-[3-chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile
- IUPAC
- 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-fluoro-6-methoxyquinoline-3-carbonitrile
이름 및 동의어
622369-57-7SCHEMBL2971320YFHNTSKEUUUEDI-UHFFFAOYSA-N4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-7-fluoro-6-methoxyquinoline-3-carbonitrile4-({3-CHLORO-4-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]PHENYLAMINO)-7-FLUORO-6-METHOXYQUINOLINE-3-CARBONITRILEP195834-[3 chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)-phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile4-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile4-[3-chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)-phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile4-[3-chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile
데이터베이스 식별자
- PubChem CID
- 23498074
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 638
관련 반응
22건
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