2-[2-(4-Cyano-phenoxy)-1-hydroxy-1-methyl-ethyl]-6-trifluoromethyl-1H-indole-5-carbonitrile

HCID 66865341

기본 정보

표준 SMILES
CC(O)(COc1ccc(C#N)cc1)c1cc2cc(C#N)c(C(F)(F)F)cc2[nH]1
InChIKey
NEVBDCJROFVBNH-UHFFFAOYSA-N
분자식
C20H14F3N3O2
평균 분자량
385.3 g/mol

이름 및 식별자

우선 이름
2-[2-(4-Cyano-phenoxy)-1-hydroxy-1-methyl-ethyl]-6-trifluoromethyl-1H-indole-5-carbonitrile
IUPAC
2-[1-(4-cyanophenoxy)-2-hydroxypropan-2-yl]-6-(trifluoromethyl)-1H-indole-5-carbonitrile

이름 및 동의어

2-[2-(4-Cyano-phenoxy)-1-hydroxy-1-methyl-ethyl]-6-trifluoromethyl-1H-indole-5-carbonitrileSCHEMBL979944NEVBDCJROFVBNH-UHFFFAOYSA-NSMDKUJFDBMNBCZ-UHFFFAOYSA-N2-[2-(4-Cyano-phenoxy)-1-hydroxy-1-methyl-ethyl]-6-trifl uoromethyl-1H-indole-5-carbonitrile2-[2-(4-Cyano-phenoxy)-1-hydroxy-1-methyl-ethyl]-6-trifluoromethyl-1H -indole-5-carbonitrile

데이터베이스 식별자

PubChem CID
66865341

물성

구조 계산 물성

XLogP
3.4
극성 표면적
92.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
4
무거운 원자 수
28

관련 반응

8건

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