2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
기본 정보
- CAS
608491-86-7- 표준 SMILES
COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)c2C#N)cc1- InChIKey
GLNJUZAIPKMZOH-UHFFFAOYSA-N- 분자식
- C23H18F3N3O2S
- 평균 분자량
- 457.5 g/mol
개요
2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methoxyphenyl)acetamide is a phenylpyridine.
이름 및 식별자
- 우선 이름
- 2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
- IUPAC
- 2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-methoxyphenyl)acetamide
- 영어명
- 2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
- 분자식
- C23H18F3N3O2S
- 분자량
- 457.47
이름 및 동의어
2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamideSMR000163009MLS000538791CHEMBL1383601CHEBI:119998HMS2352H06STK812000AKOS0016750232-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamideAF-399/41703362Q272077862-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methoxyphenyl)acetamide
이름 더 보기
Acetamide, 2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-methoxyphenyl)-
데이터베이스 식별자
- CAS
608491-86-7- ChEMBL
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 667
물리화학적 성질
- 끓는 점
- 642.6 · 642.6±55.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.3 · 12.30±0.70(Predicted)
관련 반응
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