4-(2-ethoxycarbonylethyl)-3-methyl-5-(5-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester

HCID 53969398

기본 정보

표준 SMILES
CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(Cl)cc32)[nH]c(C(=O)OCC)c1C
InChIKey
JQOKQDMSYGWZEX-UHFFFAOYSA-N
분자식
C22H23ClN2O5
평균 분자량
430.9 g/mol

이름 및 식별자

우선 이름
4-(2-ethoxycarbonylethyl)-3-methyl-5-(5-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester
IUPAC
ethyl 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-4-(3-ethoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate

이름 및 동의어

SCHEMBL6405087JQOKQDMSYGWZEX-UHFFFAOYSA-N4-(2-ethoxycarbonyl-ethyl)-3-methyl-5-(5-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester4-(2-ethoxycarbonylethyl)-3-methyl-5-(5-chloro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester4-(2-ethoxycarbonylethyl)-3-methyl-5-(5-chloro-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
53969398

물성

구조 계산 물성

XLogP
3.7
극성 표면적
97.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
30

관련 반응

5건

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