5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide

HCID 67000751

기본 정보

표준 SMILES
O=S(=O)(NC(CO)CO)c1ccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)s1
InChIKey
LIVNSBBICHZECR-UHFFFAOYSA-N
분자식
C23H17F5N4O4S2
평균 분자량
572.5 g/mol
단동위원소 질량
572.06113819

이름 및 식별자

우선 이름
5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide
IUPAC
5-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide

이름 및 동의어

5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amideSCHEMBL1348085

데이터베이스 식별자

PubChem CID
67000751

물성

구조 계산 물성

XLogP
3.3
극성 표면적
153 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
13
회전 가능 결합 수
9
무거운 원자 수
38

관련 반응

5건

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