2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetic acid

HCID 67458957

기본 정보

표준 SMILES
O=C(O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIKey
GTYJPPJEQRHLFB-UHFFFAOYSA-N
분자식
C20H12F3N3O5
평균 분자량
431.3 g/mol

이름 및 식별자

우선 이름
2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetic acid
IUPAC
2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetic acid

이름 및 동의어

2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetic acidSCHEMBL2576041(R/S)-2-hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)acetic acid

데이터베이스 식별자

PubChem CID
67458957

물성

구조 계산 물성

XLogP
3.4
극성 표면적
122 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
11
회전 가능 결합 수
5
무거운 원자 수
31

관련 반응

77건

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