기본 정보
- CAS
333765-80-3- 표준 SMILES
N#Cc1c(NC(=O)c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2Br)sc2c1CCCCC2- InChIKey
SESFXNZVQIXDCR-UHFFFAOYSA-N- 분자식
- C22H15BrF3N5OS2
- 평균 분자량
- 566.4 g/mol
이름 및 식별자
- 우선 이름
- 3-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 3-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C22H15BrF3N5OS2
- 분자량
- 566.42
이름 및 동의어
3-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideSTK847397AKOS0020767803-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/37172108SR-01000550960SR-01000550960-13-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide3-BROMO-N-{3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDEPyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-5-(2-thienyl)-7-(trifluoromethyl)-
데이터베이스 식별자
- CAS
333765-80-3
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 828
물리화학적 성질
- 밀도
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.31 · 4.31±0.20(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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