기본 정보
- CAS
333765-76-7- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2Br)sc2c1CCC2- InChIKey
OMGZJZKUOYJWOX-UHFFFAOYSA-N- 분자식
- C22H16BrF3N4O3S2
- 평균 분자량
- 585.4 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-({[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-({[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 분자식
- C22H16BrF3N4O3S2
- 분자량
- 585.42
이름 및 동의어
ethyl 2-({[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateSTL042006AKOS000559151ethyl 2-[[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateAK-968/37172064ethyl 2-({[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-(3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-5,6-dihydro-, ethyl ester
데이터베이스 식별자
- CAS
333765-76-7
물성
구조 계산 물성
- XLogP
- 6
- 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
- 827
물리화학적 성질
- 밀도
- 1.8 · 1.80±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.91 · 4.91±0.20(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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