8-(trifluoromethyl)-1-(chloromethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine

HCID 21330780

기본 정보

표준 SMILES
FC(F)(F)c1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(CCl)n1-2
InChIKey
ABYJOKWCYBZCGY-UHFFFAOYSA-N
분자식
C18H11Cl2F3N4
평균 분자량
411.2 g/mol

이름 및 식별자

우선 이름
8-(trifluoromethyl)-1-(chloromethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine
IUPAC
1-(chloromethyl)-6-(2-chlorophenyl)-8-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

이름 및 동의어

8-(trifluoromethyl)-1-(chloromethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepineSCHEMBL115426938 -(trifluoromethyl)-1-(chloromethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine8-(trifluoromethyl)-1-(chloromethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a]-[1,4]benzodiazepine8-trifluoromethyl-1-(chloromethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine8-trifluoromethyl-6-(o-chlorophenyl)-1-(chloromethyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine

데이터베이스 식별자

PubChem CID
21330780

물성

구조 계산 물성

XLogP
2.7
극성 표면적
43.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
27

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