2-[2-(3,5-Dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
기본 정보
- CAS
311809-98-0- 표준 SMILES
Cc1cc(C)n(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)n1- InChIKey
SASNLKIGCIYPKU-UHFFFAOYSA-N- 분자식
- C25H19FN4OS
- 평균 분자량
- 442.5 g/mol
이름 및 식별자
- 우선 이름
- 2-[2-(3,5-Dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
- IUPAC
- 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
- 영어명
- 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-6-phenylnicotinonitrile
- 분자식
- C25H19FN4OS
- 분자량
- 442.51
이름 및 동의어
311809-98-02-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-6-phenylnicotinonitrileAK-777/36935035STK525517AKOS003679942ST510228252-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-6-phenylnicotinonitrile2-[2-(3,5-dimethylpyrazolyl)-2-oxoethylthio]-4-(4-fluorophenyl)-6-phenylpyridi ne-3-carbonitrile2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile3-Pyridinecarbonitrile, 2-[[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]thio]-4-(4-fluorophenyl)-6-phenyl-
데이터베이스 식별자
- CAS
311809-98-0
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 96.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 685
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