2-[4-(3-Methoxy-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)amide

HCID 51346394
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기본 정보

표준 SMILES
COc1cccc(-c2cccc3c2C(=Cc2[nH]c(C)cc2C(=O)NCCn2ccnn2)C(=O)N3)c1
InChIKey
XUJAOXLHJLEGIP-UHFFFAOYSA-N
분자식
C26H24N6O3
평균 분자량
468.5 g/mol
단동위원소 질량
468.19098865

이름 및 식별자

우선 이름
2-[4-(3-Methoxy-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)amide
IUPAC
2-[[4-(3-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-N-[2-(triazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide

이름 및 동의어

XUJAOXLHJLEGIP-UHFFFAOYSA-N2-[4-(3-Methoxy-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1 H-pyrrole-3-carboxylic acid (2-[1,2,3]-triazol-1-yl-ethyl)-amide2-[4-(3-Methoxy-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)-amide2-[4-(3-Methoxy-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)amide

데이터베이스 식별자

PubChem CID
51346394

물성

구조 계산 물성

XLogP
2.4
극성 표면적
114 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
7
무거운 원자 수
35

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