기본 정보
- CAS
445426-26-6- 표준 SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)O)cc3)c(=O)n2C1c1ccc(OC)cc1OC- InChIKey
QDRSIQDHEDWBCQ-UHFFFAOYSA-N- 분자식
- C27H26N2O8S
- 평균 분자량
- 538.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[4-[[5-(2,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
- IUPAC
- 2-[4-[[5-(2,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
- 영어명
- {4-[(5-(2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
- 분자식
- C27H26N2O8S
- 분자량
- 538.57
이름 및 동의어
MLS001179101SMR000477243BDBM53018cid_5110168HMS2827C06{4-[(5-(2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid2-[4-[[5-(2,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acidMLS-0349676.00012-[4-[[5-(2,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]ethanoic acid2-[4-[[5-(2,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid2-[4-[[6-carbethoxy-5-(2,4-dimethoxyphenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid(4-{(E)-[5-(2,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid
이름 더 보기
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[4-(carboxymethoxy)phenyl]methylene]-5-(2,4-dimethoxyphenyl)-2,3-dihydro-7-methyl-3-oxo-, 6-ethyl ester
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,020
물리화학적 성질
- 끓는 점
- 708.4 · 708.4±70.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.08 · 3.08±0.10(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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