기본 정보
- CAS
438234-88-9- 표준 SMILES
CCOC(=O)c1cc(CC)sc1NC(=O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1- InChIKey
PTQVCOPGWUBDQH-UHFFFAOYSA-N- 분자식
- C21H16ClF3N4O3S2
- 평균 분자량
- 529 g/mol
- 단동위원소 질량
- 528.0304449
이름 및 식별자
- 우선 이름
- Ethyl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate
- 영어명
- ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-ethyl-3-thiophenecarboxylate
- 분자식
- C21H16ClF3N4O3S2
- 분자량
- 528.9549496
이름 및 동의어
ethyl 2-({[5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-ethyl-3-thiophenecarboxylateAK-968/41924272STK449738AKOS003293867ethyl 2-[[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-ethylthiophene-3-carboxylateST50832212438234-88-9ethyl 2-({[5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-ethylthiophene-3-carboxylateethyl 2-(5-(5-chlorothiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-5-ethylthiophene-3-carboxylateethyl 2-{[5-(5-chloro(2-thienyl))-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]py rimidin-2-yl)]carbonylamino}-5-ethylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
438234-88-9- PubChem CID
- 999599
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 767
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…