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
- 형식 전하
- 0
- 복잡도
- 697
관련 반응
5건
화합물 노트
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