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

HCID 72637577
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기본 정보

표준 SMILES
Cc1cc(C(=O)NCCn2ccnn2)c(C=C2C(=O)Nc3cccc(-c4cccc(C(F)(F)F)c4)c32)[nH]1
InChIKey
DDUVWBLVCFRLEO-UHFFFAOYSA-N
분자식
C26H21F3N6O2
평균 분자량
506.5 g/mol
단동위원소 질량
506.16780842

이름 및 식별자

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

이름 및 동의어

5-methyl-2-[2-oxo-4-(3-tri fluoromethyl-phenyl)-1,2-dihydro-indol-3-ylidenemethyl]-1 H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)-amide5-methyl-2-[2-oxo-4-(3-trifluoromethyl-phenyl)-1,2-dihydro-indol-3-ylidenemethyl]-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-yl-ethyl)-amide

데이터베이스 식별자

PubChem CID
72637577

물성

구조 계산 물성

XLogP
3.3
극성 표면적
105 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
37

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