기본 정보
- CAS
371142-41-5- 표준 SMILES
CC(C)(C)c1n[nH]c2c1C(c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2- InChIKey
OOPPRCZLTJZNDJ-UHFFFAOYSA-N- 분자식
- C18H17F3N4O2
- 평균 분자량
- 378.3 g/mol
이름 및 식별자
- 우선 이름
- 6-Amino-3-tert-butyl-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-3-tert-butyl-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 영어명
- 6-amino-3-(1,1-dimethylethyl)-4-{4-[(trifluoromethyl)oxy]phenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 분자식
- C18H17F3N4O2
- 분자량
- 378.35
이름 및 동의어
625369-04-26-amino-3-tert-butyl-4-[4-(trifluoromethoxy)phenyl]-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-tert-butyl-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-(tert-butyl)-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-(1,1-dimethylethyl)-4-{4-[(trifluoromethyl)oxy]phenyl}-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileSTK839913AKOS000666144AKOS004113023AKOS016340447SS-0729AM-807/12740238AM-807/14146170
이름 더 보기
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(1,1-dimethylethyl)-1,4-dihydro-4-[4-(trifluoromethoxy)phenyl]-
6-amino-3-(tert-butyl)-4-(4-(trifluoromethoxy)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile6-amino-3-tert-butyl-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 97 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 641
물리화학적 성질
- 끓는 점
- 517.8 · 517.8±50.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.75 · 11.75±0.70(Predicted)
화학 및 산업
공급사3 곳
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