기본 정보
- CAS
357293-43-7- 표준 SMILES
CC(NC(=O)c1nn2c(c1Cl)NC(c1cccs1)CC2C(F)(F)F)c1ccccc1- InChIKey
QUBOFFLQXAYRNO-UHFFFAOYSA-N- 분자식
- C20H18ClF3N4OS
- 평균 분자량
- 454.9 g/mol
- 단동위원소 질량
- 454.0841946
이름 및 식별자
- 우선 이름
- 3-chloro-N-(1-phenylethyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-chloro-N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 3-chloro-N-(1-phenylethyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C20H18ClF3N4OS
- 분자량
- 454.9
이름 및 동의어
3-chloro-N-(1-phenylethyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide357293-43-73-chloro-N-(1-phenylethyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/15359195STK343136AKOS001621126AKOS022063643EU-0071996ST50705465SR-01000436795SR-01000436795-1[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-dia zaperhydroin-2-yl)]-N-(phenylethyl)carboxamide
이름 더 보기
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-4,5,6,7-tetrahydro-N-(1-phenylethyl)-5-(2-thienyl)-7-(trifluoromethyl)-
3-chloro-N-(1-phenylethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 87.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 621
물리화학적 성질
- 끓는 점
- 588.9 · 588.9±50.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.39 · 12.39±0.60(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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