기본 정보
- CAS
321998-55-4- 표준 SMILES
O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F- InChIKey
WVWISMONZLUAQB-UHFFFAOYSA-N- 분자식
- C22H13ClF6N4OS
- 평균 분자량
- 530.9 g/mol
이름 및 식별자
- 우선 이름
- 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)benzyl]-1H-pyrazole-4-carboxamide
- IUPAC
- 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
- 영어명
- 1-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)benzyl]-1H-pyrazole-4-carboxamide
- 분자식
- C22H13ClF6N4OS
- 분자량
- 530.87
이름 및 동의어
321998-55-41-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)benzyl]-1H-pyrazole-4-carboxamide1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-4-carboxamideAKOS0051035688K-555S1H-Pyrazole-4-carboxamide, 1-[4-(4-chlorophenyl)-2-thiazolyl]-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-
데이터베이스 식별자
- CAS
321998-55-4
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 88.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 736
물리화학적 성질
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.12 · 13.12±0.46(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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