4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile

HCID 22562427

기본 정보

표준 SMILES
CC1=C(CCCCCN2CCNCC2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O
InChIKey
OFSRUXUZNFPBGA-UHFFFAOYSA-N
분자식
C22H25F3N4O2
평균 분자량
434.5 g/mol

이름 및 식별자

우선 이름
4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile
IUPAC
4-[3-methyl-2,5-dioxo-4-(5-piperazin-1-ylpentyl)pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile

이름 및 동의어

4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrileSCHEMBL64834934-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)-pentyl]-1H-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1- yl]-2-(trifluoromethyl)benzonitrile4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1yl]-2-(trifluoromethyl)benzonitrile

데이터베이스 식별자

PubChem CID
22562427

물성

구조 계산 물성

XLogP
2.9
극성 표면적
76.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
31

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6건

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