N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-[2-(2-thienyl)ethyl]-2H-pyrrole-3-carboxamide (HCID 54698185)

기본 정보

표준 SMILES: CN(Cc1ccc(F)cc1)C(=O)C1=C(O)C(=O)N(CCc2cccs2)C1
InChIKey: GRYUFNQHSWUYDO-UHFFFAOYSA-N
분자식: C19H19FN2O3S
평균 분자량: 374.4 g/mol
단동위원소 질량: 374.11004181

이름 및 식별자

우선 이름: N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-[2-(2-thienyl)ethyl]-2H-pyrrole-3-carboxamide
IUPAC: N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide

이름 및 동의어

GRYUFNQHSWUYDO-UHFFFAOYSA-N1H-Pyrrole-3-carboxamide, N-[(4-fluorophenyl)methyl]-2,5-dihydro-4-hydroxy-N-methyl-5-oxo-1-[2-(2-thienyl)ethyl]-4-Hydroxy-5-oxo-1-(2-thiophen-2-yl-ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (4-fluoro-benzyl)-methyl-amideN-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-[2-(2-thienyl)ethyl]-2H-pyrrole-3-carboxamide

데이터베이스 식별자

PubChem CID: 54698185

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 89.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 575

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