기본 정보
- CAS
371221-14-6- 표준 SMILES
N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCC(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
GAOOLLTUHIOCKU-UHFFFAOYSA-N- 분자식
- C20H11F6N3O2S
- 평균 분자량
- 471.4 g/mol
- 단동위원소 질량
- 471.04761675
이름 및 식별자
- 우선 이름
- 2-{[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
- IUPAC
- 2-[[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
- 영어명
- 2-{[3-cyano-6-furan-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
- 분자식
- C20H11F6N3O2S
- 분자량
- 471.38
이름 및 동의어
371221-14-62-{[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide2-((3-Cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide2-[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide2-{[3-cyano-6-(2-furyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamideCBKinase1_008535CBKinase1_020935AK-777/12227054STK849969AKOS003598305SS-07312-{[3-cyano-6-furan-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
이름 더 보기
Acetamide, 2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-[3-(trifluoromethyl)phenyl]-
CS-0327534BRD-K97926350-001-01-9
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 710
물리화학적 성질
- 끓는 점
- 582 · 582.0±50.0 °C(Predicted)
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.35 · 12.35±0.70(Predicted)
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