7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid {2-chloro-5-[(2-hydroxy-ethyl)-methyl-sulfamoyl]-thiophen-3-yl}-amide
기본 정보
- 표준 SMILES
CN(CCO)S(=O)(=O)c1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c(Cl)s1- InChIKey
ONAGUWOAJHPHIO-UHFFFAOYSA-N- 분자식
- C22H16ClF6N5O4S2
- 평균 분자량
- 628 g/mol
- 단동위원소 질량
- 627.023643
이름 및 식별자
- 우선 이름
- 7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid {2-chloro-5-[(2-hydroxy-ethyl)-methyl-sulfamoyl]-thiophen-3-yl}-amide
- IUPAC
- N-[2-chloro-5-[2-hydroxyethyl(methyl)sulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
이름 및 동의어
7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid {2-chloro-5-[(2-hydroxy-ethyl)-methyl-sulfamoyl]-thiophen-3-yl}-amideSCHEMBL1938062
데이터베이스 식별자
- PubChem CID
- 86607125
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,010
관련 반응
2건
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