5-[4-(2-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide (HCID 24941308)

기본 정보

표준 SMILES: Cc1[nH]c(C=C2C(=O)Nc3cccc(-c4ccccc4F)c32)c(C)c1C(=O)NCCN1CCCC1
InChIKey: WLWXSMOKBLVBLG-UHFFFAOYSA-N
분자식: C28H29FN4O2
평균 분자량: 472.6 g/mol
단동위원소 질량: 472.22745434

이름 및 식별자

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

이름 및 동의어

WLWXSMOKBLVBLG-UHFFFAOYSA-N5-[4-(2-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2,4-dimethyl-1 H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide5-[4-(2-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide

데이터베이스 식별자

PubChem CID: 24941308

물성

구조 계산 물성

XLogP: 4
극성 표면적: 77.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 35
형식 전하: 0
복잡도: 813

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