5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester

HCID 69740755
노트반응
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기본 정보

표준 SMILES
CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4cccc(F)c4)c32)c1CCCN1CCN(C)CC1
InChIKey
OJQUTFZAUFDLMV-UHFFFAOYSA-N
분자식
C31H35FN4O3
평균 분자량
530.6 g/mol
단동위원소 질량
530.26931915

이름 및 식별자

우선 이름
5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester
IUPAC
ethyl 5-[[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylate

이름 및 동의어

SCHEMBL6319782OJQUTFZAUFDLMV-UHFFFAOYSA-N5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1 H-pyrrole-3-carboxylic acid ethyl ester5-[4-(3-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
69740755

물성

구조 계산 물성

XLogP
4.5
극성 표면적
77.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
9
무거운 원자 수
39

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