2-[2-(Methylthio)pyrimidin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethanone

HCID 10757458

기본 정보

표준 SMILES
CSc1nccc(CC(=O)c2cccc(C(F)(F)F)c2)n1
InChIKey
DXWVQCGXUJJIBZ-UHFFFAOYSA-N
분자식
C14H11F3N2OS
평균 분자량
312.31 g/mol

이름 및 식별자

우선 이름
2-[2-(Methylthio)pyrimidin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethanone
IUPAC
2-(2-methylsulfanylpyrimidin-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanone

이름 및 동의어

2-[2-(Methylthio)pyrimidin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethanone200801-88-32-(2-methylsulfanylpyrimidin-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanoneSCHEMBL2926214AKOS0050994006Y-08492-(2-Methylthiopyrimidin-4-yl)-1-(3-trifluoromethylphenyl)ethanone2-(2-Methylsulfanyl-pyrimidin-4-yl)-1-(3-trifluoromethyl-phenyl)-ethanone2-(2-Methylsulfanylpyrimidin-4-yl)-1-(3-trifluoromethylphenyl)ethanone2-[2-(methylsulfanyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethan-1-one

데이터베이스 식별자

PubChem CID
10757458

물성

구조 계산 물성

XLogP
3.2
극성 표면적
68.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
4
무거운 원자 수
21

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6건

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