기본 정보
- CAS
438219-02-4- 표준 SMILES
CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)n2n1- InChIKey
IZLQPMKRMSEGAL-UHFFFAOYSA-N- 분자식
- C26H25F3N4O3S
- 평균 분자량
- 530.6 g/mol
- 단동위원소 질량
- 530.15994633
이름 및 식별자
- 우선 이름
- Ethyl 2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-isopropyl-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-propan-2-ylthiophene-3-carboxylate
- 영어명
- ethyl 2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-isopropyl-3-thiophenecarboxylate
- 분자식
- C26H25F3N4O3S
- 분자량
- 530.5619096
이름 및 동의어
ethyl 2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-isopropyl-3-thiophenecarboxylateAK-968/41170233STK430791AKOS003308751ethyl 2-[[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-propan-2-ylthiophene-3-carboxylateST50830569438219-02-4ethyl 2-({[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5-(propan-2-yl)thiophene-3-carboxylateethyl 2-(5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-5-isopropylthiophene-3-carboxylateethyl 2-{[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyr imidin-2-yl)]carbonylamino}-5-(methylethyl)thiophene-3-carboxylate
데이터베이스 식별자
- CAS
438219-02-4- PubChem CID
- 1766268
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 831
화학 및 산업
공급사1 곳
SPECS[email protected]
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