2-[4-(3-bromo-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)-amide (HCID 51346391)

기본 정보

표준 SMILES: Cc1cc(C(=O)NCCn2ccnn2)c(C=C2C(=O)Nc3cccc(-c4cccc(Br)c4)c32)[nH]1
InChIKey: UXOTVNCSRBHACK-UHFFFAOYSA-N
분자식: C25H21BrN6O2
평균 분자량: 517.4 g/mol
단동위원소 질량: 516.09094

이름 및 식별자

우선 이름: 2-[4-(3-bromo-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)-amide
IUPAC: 2-[[4-(3-bromophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-N-[2-(triazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide

이름 및 동의어

UXOTVNCSRBHACK-UHFFFAOYSA-N2-[4-(3-bromo-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-bromo-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: 51346391

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 105 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 34
형식 전하: 0
복잡도: 793

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