1H-Pyrrole-3-carboxylic acid, 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-, ethyl ester
기본 정보
- CAS
2407-87-6- 표준 SMILES
CCOC(=O)C1=C(C)/C(=C/c2[nH]c(C)c(C(=O)OCC)c2C)N=C1C- InChIKey
UIOBKSBTVLAPDR-DHDCSXOGSA-N- 분자식
- C19H24N2O4
- 평균 분자량
- 344.4 g/mol
- 단동위원소 질량
- 344.17360725
이름 및 식별자
- 우선 이름
- 1H-Pyrrole-3-carboxylic acid, 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-, ethyl ester
- IUPAC
- ethyl (5Z)-5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrole-3-carboxylate
이름 및 동의어
NSC6097692407-87-6NSC 134395-((4-Ethoxycarbonyl-3,5-dimethyl-2H-pyrrole-2-ylidene)methyl)-2,4-dimethyl-15((4-Ethoxycarbonyl-3,5-dimethyl-2H-pyrrole-2-ylidene)methyl)-2,4-dimethyl-11H-Pyrrole-3-carboxylic acid, 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-, ethyl esterethyl (5Z)-5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylateEthyl 5-((4-(ethoxycarbonyl)-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
데이터베이스 식별자
- CAS
2407-87-6- PubChem CID
- 6051522
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 80.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 648
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