기본 정보
- CAS
313362-20-8- 표준 SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)c(=O)n2C1c1ccc(C)cc1- InChIKey
QCJYXOUXXVAKEG-UHFFFAOYSA-N- 분자식
- C33H27ClN4O3S
- 평균 분자량
- 595.1 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 영어명
- ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 분자식
- C33H27ClN4O3S
- 분자량
- 595.11
이름 및 동의어
ethyl 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateETHYL (2Z)-2-{[3-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-7-METHYL-5-(4-METHYLPHENYL)-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2,3-dihydro-7-methyl-5-(4-methylphenyl)-3-oxo-, ethyl ester
데이터베이스 식별자
- CAS
313362-20-8
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,120
물리화학적 성질
- 끓는 점
- 743.1 · 743.1±70.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.53 · -2.53±0.10(Predicted)
화학 및 산업
공급사3 곳
PHARMEKS Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
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