기본 정보
- CAS
955976-72-4- 표준 SMILES
Cn1nc(C(F)(F)F)c(CN2CC(C)(C)C2=O)c1N1CCOCC1- InChIKey
GFJKPQMXELBNIV-UHFFFAOYSA-N- 분자식
- C15H21F3N4O2
- 평균 분자량
- 346.35 g/mol
이름 및 식별자
- 우선 이름
- 3,3-dimethyl-1-{[1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-2-azetanone
- IUPAC
- 3,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one
- 영어명
- 3,3-Dimethyl-1-([1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl)-2-azetanone
- 분자식
- C15H21F3N4O2
- 분자량
- 346.35
이름 및 동의어
955976-72-43,3-dimethyl-1-{[1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-2-azetanoneMFCD041260143,3-dimethyl-1-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one3,3-dimethyl-1-{[1-methyl-5-(morpholin-4-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}azetidin-2-oneMLS000696498CHEMBL1539028HMS2739D23AKOS005099728SMR0003366187W-0281SR-01000307033
이름 더 보기
3,3-Dimethyl-1-([1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl)-2-azetanone2-Azetidinone, 3,3-dimethyl-1-[[1-methyl-5-(4-morpholinyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-
SR-01000307033-13,3-Dimethyl-1-((1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)azetidin-2-one3,3-dimethyl-1-[[1-methyl-5-morpholino-3-(trifluoromethyl)pyrazol-4-yl]methyl]azetidin-2-one
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 50.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 494
물리화학적 성질
- 끓는 점
- 489 · 489.0±45.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.97 · 1.97±0.20(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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