(3E)-6-fluoro-3-{4-[4-({4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl)phenyl}-5,5-dimethylfuran-2(5H)-ylidene}-1,3-dihydro-2H-indol-2-one

HCID 58926034
노트반응
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기본 정보

표준 SMILES
CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(CN2CCN(CCOCCO)CC2)cc1
InChIKey
PFRKOOPFAUTXDO-CYYJNZCTSA-N
분자식
C29H34FN3O4
평균 분자량
507.6 g/mol
단동위원소 질량
507.25333474

이름 및 식별자

우선 이름
(3E)-6-fluoro-3-{4-[4-({4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl)phenyl}-5,5-dimethylfuran-2(5H)-ylidene}-1,3-dihydro-2H-indol-2-one
IUPAC
(3E)-6-fluoro-3-[4-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

이름 및 동의어

(3E)-6-fluoro-3-{4-[4-({4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl)phenyl}-5,5-dimethylfuran-2(5H)-ylidene}-1,3-dihydro-2H-indol-2-one(3E)-6-fluoro-3-{4-[4-({4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}methyl)phenyl]-5,5-dimethylfuran-2(5H)-ylidene}-1,3-dihydro-2H-indol-2-oneSCHEMBL5333340PFRKOOPFAUTXDO-CYYJNZCTSA-N(3E)-6-fluoro-3-{4-[4-({4-[2-(2-hydroxyethoxyl)ethyl]piperazin-1-yl}methyl)phenyl]-5,5-dimethylfuran-2(5H)-ylidene}-1,3-dihydro-2H-indol-2-one

데이터베이스 식별자

PubChem CID
58926034

물성

구조 계산 물성

XLogP
2.1
극성 표면적
74.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
37

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