기본 정보
- CAS
444317-29-7- 표준 SMILES
CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1cc(C)n(-c2ccc(C)c(C)c2)c1C- InChIKey
LXIVKPPZHDKFDR-UHFFFAOYSA-N- 분자식
- C26H32N2O4
- 평균 분자량
- 436.5 g/mol
- 단동위원소 질량
- 436.23620751
이름 및 식별자
- 우선 이름
- Ethyl 4-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxopyrrole-3-carboxylate
- IUPAC
- ethyl 4-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(2-methoxyethyl)-2-methyl-5-oxopyrrole-3-carboxylate
- 영어명
- ethyl 4-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
- 분자식
- C26H32N2O4
- 분자량
- 436.54
이름 및 동의어
ethyl 4-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylateethyl (4Z)-4-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate1H-Pyrrole-3-carboxylic acid, 4-[[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-4,5-dihydro-1-(2-methoxyethyl)-2-methyl-5-oxo-, ethyl ester
데이터베이스 식별자
- CAS
444317-29-7- PubChem CID
- 3896751
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 60.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 774
물리화학적 성질
- 끓는 점
- 612 · 612.0±55.0 °C(Predicted)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.93 · -3.93±0.60(Predicted)
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