5-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
기본 정보
- CAS
338409-99-7- 표준 SMILES
CC1(C)OC(=O)C(=Cc2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)C(=O)O1- InChIKey
NCAIQVWMASREGO-UHFFFAOYSA-N- 분자식
- C21H14ClF3N2O4
- 평균 분자량
- 450.8 g/mol
이름 및 식별자
- 우선 이름
- 5-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- 영어명
- 5-((1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- 분자식
- C21H14ClF3N2O4
- 분자량
- 450.8
이름 및 동의어
338409-99-75-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-indol-3-yl}methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneAKOS0050880323H-9165-((1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-indol-3-yl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-((1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione1,3-Dioxane-4,6-dione, 5-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl]methylene]-2,2-dimethyl-
데이터베이스 식별자
- CAS
338409-99-7
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 70.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 750
물리화학적 성질
- 끓는 점
- 572.4 · 572.4±50.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.12 · -1.12±0.39(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…