3-[(4-Benzhydryl-1-piperazinyl)carbonyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
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기본 정보
- CAS
380592-04-1- 표준 SMILES
Cc1ccc(C2CC(C(F)(F)F)n3ncc(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)c3N2)cc1- InChIKey
PEAHKDXESGNARZ-UHFFFAOYSA-N- 분자식
- C32H32F3N5O
- 평균 분자량
- 559.6 g/mol
- 단동위원소 질량
- 559.25589515
이름 및 식별자
- 우선 이름
- 3-[(4-Benzhydryl-1-piperazinyl)carbonyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
- IUPAC
- (4-benzhydrylpiperazin-1-yl)-[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
- 영어명
- 3-[(4-benzhydryl-1-piperazinyl)carbonyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
- 분자식
- C32H32F3N5O
- 분자량
- 559.62
이름 및 동의어
3-[(4-benzhydryl-1-piperazinyl)carbonyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidineChemDiv1_004218HMS598P16STK343558AKOS001622518AKOS022072791ST50707371AK-968/15360215SR-01000437318SR-01000437318-1(4-benzhydrylpiperazin-1-yl)(5-(p-tolyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone(4-benzhydrylpiperazin-1-yl)-[5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
이름 더 보기
Methanone, [4-(diphenylmethyl)-1-piperazinyl][4,5,6,7-tetrahydro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-
[4-(diphenylmethyl)piperazin-1-yl][5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone4-(diphenylmethyl)piperazinyl 5-(4-methylphenyl)-7-(trifluoromethyl)(4H,5H,6H, 7H-pyrazolo[1,5-a]1,3-diazaperhydroin-3-yl) ketone
물성
구조 계산 물성보충 중
- XLogP
- 6.1
- 극성 표면적
- 53.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 842
물리화학적 성질
- 끓는 점
- 685.8 · 685.8±55.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.9 · 5.90±0.10(Predicted)
관련 반응
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