2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-5-(2-oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic acid ethyl ester

HCID 69740825
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4ccccc4)c32)c1CCCN1CCN(C)CC1
InChIKey
HNIDAFQOCOGGNC-UHFFFAOYSA-N
분자식
C31H36N4O3
평균 분자량
512.6 g/mol

이름 및 식별자

우선 이름
2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-5-(2-oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic acid ethyl ester
IUPAC
ethyl 2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-5-[(2-oxo-4-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate

이름 및 동의어

SCHEMBL6319978HNIDAFQOCOGGNC-UHFFFAOYSA-N2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-5-(2 -oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1 H-pyrrole-3-carboxylic acid ethyl ester2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-5-(2-oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
69740825

물성

구조 계산 물성

XLogP
4.4
극성 표면적
77.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
38

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