5-[1-(2,4-bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]2-methylsulfanyl-thiazol-4-one

HCID 86654543

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)S1
InChIKey: BRCNTYRWIJQRIB-UHFFFAOYSA-N
분자식: C21H13F6N3OS2
평균 분자량: 501.5 g/mol

이름 및 식별자

우선 이름: 5-[1-(2,4-bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]2-methylsulfanyl-thiazol-4-one
IUPAC: 5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one

이름 및 동의어

5-[1-(2,4-bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]2-methylsulfanyl-thiazol-4-oneSCHEMBL19936015-[1-(2,4-Bis-trifluoromethyl-benzyl)-1H-indazol-5-ylmethylene]-2-methylsulfanyl-thiazol-4-one

데이터베이스 식별자

PubChem CID: 86654543

물성

구조 계산 물성

XLogP: 6.4
극성 표면적: 97.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 4
무거운 원자 수: 33
형식 전하: 0
복잡도: 815

관련 반응

97건

반응 기록 만들기

HRID 107938 반응식

HRID 107938반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138201 반응식

HRID 138201반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 184380 반응식

HRID 184380반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 193856 반응식

HRID 193856반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 198035 반응식

HRID 198035반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 205293 반응식

HRID 205293반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 282513 반응식

HRID 282513반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 301823 반응식

HRID 301823반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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