5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester

HCID 58779587

기본 정보

표준 SMILES
CCOC(=O)c1c(C)[nH]c(C=O)c1CCCN1CCN(C)CC1
InChIKey
XWTXOZAMDCGFQZ-UHFFFAOYSA-N
분자식
C17H27N3O3
평균 분자량
321.4 g/mol
단동위원소 질량
321.20524173

이름 및 식별자

우선 이름
5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester
IUPAC
ethyl 5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylate

이름 및 동의어

SCHEMBL5401547XWTXOZAMDCGFQZ-UHFFFAOYSA-N5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1 H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
58779587

물성

구조 계산 물성

XLogP
1.6
극성 표면적
65.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
8
무거운 원자 수
23

관련 반응

24건

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