5-[4-(3-bromo-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)-amide

HCID 69986993
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기본 정보

표준 SMILES
CCN(CC)CCNC(=O)c1cc(C)c(C=C2C(=O)Nc3cccc(-c4cccc(Br)c4)c32)[nH]1
InChIKey
CUFCCTHXUAFJLJ-UHFFFAOYSA-N
분자식
C27H29BrN4O2
평균 분자량
521.4 g/mol
단동위원소 질량
520.14739

이름 및 식별자

우선 이름
5-[4-(3-bromo-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)-amide
IUPAC
5-[[4-(3-bromophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-2-carboxamide

이름 및 동의어

SCHEMBL7095008CUFCCTHXUAFJLJ-UHFFFAOYSA-N5-[4-(3-bromo-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-4-methyl-1 H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)-amide5-[4-(3-bromo-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)-amide5-[4-(3-bromo-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-4-methyl-1H-pyrrole-2-carboxylic acid (2-diethylamino-ethyl)amide

데이터베이스 식별자

PubChem CID
69986993

물성

구조 계산 물성

XLogP
4.8
극성 표면적
77.2 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
8
무거운 원자 수
34

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