기본 정보
- CAS
956170-39-1- 표준 SMILES
Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(Cc4ccccc4)CC3)cs2)n1- InChIKey
NXVQGBCCERNHDO-UHFFFAOYSA-N- 분자식
- C20H20F3N5OS
- 평균 분자량
- 435.5 g/mol
이름 및 식별자
- 우선 이름
- (4-benzylpiperazino){2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}methanone
- IUPAC
- (4-benzylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
- 영어명
- (4-Benzylpiperazino)(2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl)methanone
- 분자식
- C20H20F3N5OS
- 분자량
- 435.47
이름 및 동의어
956170-39-1(4-benzylpiperazin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone(4-benzylpiperazino){2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}methanoneAKOS0050988366T-0846(4-Benzylpiperazin-1-yl)(2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazol-4-yl)methanone1-benzyl-4-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbonyl}piperazine(4-Benzylpiperazino)(2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl)methanoneMethanone, [2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolyl][4-(phenylmethyl)-1-piperazinyl]-
데이터베이스 식별자
- CAS
956170-39-1
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 82.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 595
물리화학적 성질
- 끓는 점
- 567.9 · 567.9±60.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.05 · 6.05±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…