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

HCID 86608115

기본 정보

표준 SMILES
O=S(=O)(NC(CO)CO)c1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4cccc(C(F)(F)F)c4)nc23)s1
InChIKey
JLIIFXROGQOCJZ-UHFFFAOYSA-N
분자식
C23H16F6N4O4S2
평균 분자량
590.5 g/mol
단동위원소 질량
590.05171632

이름 및 식별자

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

이름 및 동의어

5-[7-Trifluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amideSCHEMBL1346622

데이터베이스 식별자

PubChem CID
86608115

물성

구조 계산 물성

XLogP
3.5
극성 표면적
153 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
14
회전 가능 결합 수
8
무거운 원자 수
39

관련 반응

5건

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