기본 정보
- 표준 SMILES
CCOc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4nc(C)c(S(=O)(=O)NC(C)(CO)CO)s4)c3n2)ccc1C(F)(F)F- InChIKey
HAPSBAUWUUCPPK-UHFFFAOYSA-N- 분자식
- C25H24F6N6O6S2
- 평균 분자량
- 682.6 g/mol
이름 및 식별자
- 우선 이름
- 5-(3-Ethoxy-4-trifluoromethyl-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [5-(2-hydroxy-1-hydroxymethyl-1-methyl-ethylsulfamoyl)-4-methyl-thiazol-2-yl]-amide
- IUPAC
- N-[5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl]-5-[3-ethoxy-4-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
이름 및 동의어
5-(3-Ethoxy-4-trifluoromethyl-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [5-(2-hydroxy-1-hydroxymethyl-1-methyl-ethylsulfamoyl)-4-methyl-thiazol-2-yl]-amideSCHEMBL1938934
데이터베이스 식별자
- PubChem CID
- 11996403
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 205 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,140
관련 반응
2건
화합물 노트
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