기본 정보
- CAS
438232-71-4- 표준 SMILES
CCOC(=O)c1cc(C)sc1NC(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1- InChIKey
JNHQJIUBRMLJKB-UHFFFAOYSA-N- 분자식
- C20H14ClF3N4O3S2
- 평균 분자량
- 514.9 g/mol
- 단동위원소 질량
- 514.0147948
이름 및 식별자
- 우선 이름
- Ethyl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
- 영어명
- ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
- 분자식
- C20H14ClF3N4O3S2
- 분자량
- 514.9283696
이름 및 동의어
ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-methyl-3-thiophenecarboxylateAK-968/41924582STK449733AKOS003293615ethyl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-methylthiophene-3-carboxylateST50831984438232-71-4ethyl 2-({[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-methylthiophene-3-carboxylateethyl 2-(5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-5-methylthiophene-3-carboxylateethyl 2-{[5-(5-chloro(2-thienyl))-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]py rimidin-2-yl)]carbonylamino}-5-methylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
438232-71-4- PubChem CID
- 1000258
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 752
화학 및 산업
공급사1 곳
SPECS[email protected]
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