기본 정보
- CAS
321998-53-2- 표준 SMILES
Cc1ccc(CNC(=O)c2cnn(-c3nc(-c4ccc(Cl)cc4)cs3)c2C(F)(F)F)cc1- InChIKey
WRAYAOMBNGKABO-UHFFFAOYSA-N- 분자식
- C22H16ClF3N4OS
- 평균 분자량
- 476.9 g/mol
이름 및 식별자
- 우선 이름
- 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
- IUPAC
- 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
- 영어명
- 1-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
- 분자식
- C22H16ClF3N4OS
- 분자량
- 476.9
이름 및 동의어
321998-53-21-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamideAKOS0051034798K-548S1-(4-(4-Chlorophenyl)thiazol-2-yl)-N-(4-methylbenzyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide1H-Pyrazole-4-carboxamide, 1-[4-(4-chlorophenyl)-2-thiazolyl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)-
데이터베이스 식별자
- CAS
321998-53-2
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 88.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 641
물리화학적 성질
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.39 · 13.39±0.46(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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