기본 정보
- CAS
354537-41-0- 표준 SMILES
O=C(Nc1ccccc1C(F)(F)F)c1nn2c(c1Br)NC(c1ccc(Br)o1)CC2C(F)(F)F- InChIKey
PMIMWEINDQCDKA-UHFFFAOYSA-N- 분자식
- C19H12Br2F6N4O2
- 평균 분자량
- 602.1 g/mol
이름 및 식별자
- 우선 이름
- 3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 3-bromo-5-(5-bromo-2-furyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C19H12Br2F6N4O2
- 분자량
- 602.12
이름 및 동의어
3-bromo-5-(5-bromo-2-furyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-bromo-5-(5-bromofuran-2-yl)-7-(trifluoromethyl)-N-(2-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/15359445STK343262AKOS001622480AKOS022075790EU-0038724ST50706011SR-01000437408SR-01000437408-1[3-bromo-5-(5-bromo(2-furyl))-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1 ,3-diazaperhydroin-2-yl)]-N-[2-(trifluoromethyl)phenyl]carboxamide
이름 더 보기
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-5-(5-bromo-2-furanyl)-4,5,6,7-tetrahydro-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 72.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 729
물리화학적 성질
- 끓는 점
- 531.7 · 531.7±50.0 °C(Predicted)
- 밀도
- 1.96 · 1.96±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.02 · 10.02±0.70(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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