5-{1-[2-Chloro-4-(1-hydroxy-1-methyl-ethyl)benzyl]-1H-indazol-5-ylmethylene}-2-ethylsulfanyl-thiazol-4-one

HCID 67241704

기본 정보

표준 SMILES
CCSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(C(C)(C)O)cc3Cl)c2)S1
InChIKey
DJSZWAQPRXOAGP-UHFFFAOYSA-N
분자식
C23H22ClN3O2S2
평균 분자량
472 g/mol

이름 및 식별자

우선 이름
5-{1-[2-Chloro-4-(1-hydroxy-1-methyl-ethyl)benzyl]-1H-indazol-5-ylmethylene}-2-ethylsulfanyl-thiazol-4-one
IUPAC
5-[[1-[[2-chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]indazol-5-yl]methylidene]-2-ethylsulfanyl-1,3-thiazol-4-one

이름 및 동의어

SCHEMBL1996478DJSZWAQPRXOAGP-UHFFFAOYSA-N5-{1-[2-Chloro-4-(1-hydroxy-1-methyl-ethyl)-benzyl]-1H-indazol-5-ylmethylene}-2-ethylsulfanyl-thiazol-4-one5-{1-[2-Chloro-4-(1-hydroxy-1-methyl-ethyl)benzyl]-1H-indazol-5-ylmethylene}-2-ethylsulfanyl-thiazol-4-one

데이터베이스 식별자

PubChem CID
67241704

물성

구조 계산 물성

XLogP
5.3
극성 표면적
118 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
31

관련 반응

10건

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