기본 정보
- CAS
333762-33-7- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccs4)nc23)sc2c1CCCC2- InChIKey
LSOAVWYOIFJYJW-UHFFFAOYSA-N- 분자식
- C23H19F3N4O3S2
- 평균 분자량
- 520.6 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-({[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-({[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C23H19F3N4O3S2
- 분자량
- 520.55
이름 및 동의어
ethyl 2-({[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSTK342899AKOS002076945ethyl 2-[[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50005965AG-219/37113008SR-01000550896SR-01000550896-1ethyl 2-({[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-(5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateETHYL 2-[5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-AMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATEethyl 2-{[5-(2-thienyl)-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidin-3- yl]carbonylamino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
이름 더 보기
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl]amino]-, ethyl ester
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 806
물리화학적 성질
- 밀도
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.12 · 7.12±0.20(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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