3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
기본 정보
- CAS
333765-79-0- 표준 SMILES
CC(C)(C)C1CCc2c(sc(NC(=O)c3nn4c(C(F)(F)F)cc(-c5cccs5)nc4c3Br)c2C#N)C1- InChIKey
SFABFOHNBSHXDQ-UHFFFAOYSA-N- 분자식
- C25H21BrF3N5OS2
- 평균 분자량
- 608.5 g/mol
이름 및 식별자
- 우선 이름
- 3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C25H21BrF3N5OS2
- 분자량
- 608.4963496
이름 및 동의어
3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideAKOS000559178AKOS0216001093-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/12163240SR-01000550959SR-01000550959-13-BROMO-N-(6-TERT-BUTYL-3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
데이터베이스 식별자
- CAS
333765-79-0
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 926
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