8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide

HCID 44517259

기본 정보

표준 SMILES
CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4c(F)c(OC)cc(OC)c4F)c4nccnc34)nc2)CC1
InChIKey
VPUSJEVBEOMKDF-UHFFFAOYSA-N
분자식
C29H30F2N6O3
평균 분자량
548.6 g/mol

이름 및 식별자

우선 이름
8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
IUPAC
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide

이름 및 동의어

SCHEMBL1126406VPUSJEVBEOMKDF-UHFFFAOYSA-N8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethylpiperazin-1-ylmethyl)-pyridin-2-yl]-amide

데이터베이스 식별자

PubChem CID
44517259

물성

구조 계산 물성

XLogP
3.1
극성 표면적
92.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
8
무거운 원자 수
40

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5건

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