2,4-dimethyl-5-[2-oxo-4-(4-trifluoromethoxy-phenyl)-1,2-dihydro-indol-3-ylidenemethyl]-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-ylethyl)amide (HCID 24941307)

기본 정보

표준 SMILES: Cc1[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(OC(F)(F)F)cc4)c32)c(C)c1C(=O)NCCn1ccnn1
InChIKey: AWQPLPDSGWJCFI-UHFFFAOYSA-N
분자식: C27H23F3N6O3
평균 분자량: 536.5 g/mol

이름 및 식별자

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

이름 및 동의어

2,4-dimethyl-5-[2-oxo-4-(4-trifluoromethoxy-phenyl)-1,2-dihydro-indol-3-ylidenemethyl]-1H-pyrrole-3-carboxylic acid (2-[1,2,3]triazol-1-ylethyl)amide2,4-dimethyl-5-[2-oxo-4-(4-trifluoromethoxy-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: 24941307

물성

구조 계산 물성

XLogP: 4
극성 표면적: 114 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 7
무거운 원자 수: 39
형식 전하: 0
복잡도: 925

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