기본 정보
- CAS
303998-72-3- 표준 SMILES
FC(F)(F)c1cnc(N2CCN(c3nc(CSc4ccc(Cl)cc4)cs3)CC2)c(Cl)c1- InChIKey
CLPFJWCPUMQQPZ-UHFFFAOYSA-N- 분자식
- C20H17Cl2F3N4S2
- 평균 분자량
- 505.4 g/mol
이름 및 식별자
- 우선 이름
- 4-[(4-Chlorophenyl)sulfanylmethyl]-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1,3-thiazole
- IUPAC
- 4-[(4-chlorophenyl)sulfanylmethyl]-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3-thiazole
- 영어명
- 1-(4-([(4-Chlorophenyl)sulfanyl]methyl)-1,3-thiazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine
- 분자식
- C20H17Cl2F3N4S2
- 분자량
- 505.41
이름 및 동의어
303998-72-31-(4-{[(4-chlorophenyl)sulfanyl]methyl}-1,3-thiazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine4-[(4-chlorophenyl)sulfanylmethyl]-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1,3-thiazole1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-1,3-thiazol-2-yl)piperazineAKOS00507998212F-9032-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-4-(((4-chlorophenyl)thio)methyl)thiazolePiperazine, 1-[4-[[(4-chlorophenyl)thio]methyl]-2-thiazolyl]-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-CHLOROPHENYL (2-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-1,3-THIAZOL-4-YL)METHYL SULFIDE1-(4-([(4-Chlorophenyl)sulfanyl]methyl)-1,3-thiazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine
데이터베이스 식별자
- CAS
303998-72-3
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 85.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 575
물리화학적 성질
- 끓는 점
- 605.6 · 605.6±65.0 °C(Predicted)
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.92 · 4.92±0.10(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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