기본 정보
- CAS
836626-31-4- 표준 SMILES
COC(=O)c1ccc(C2C(C(=O)OCc3ccccc3)=C(C)N=C3SC(C)C(=O)N32)cc1- InChIKey
BBJWBRFUUVRNRJ-UHFFFAOYSA-N- 분자식
- C24H22N2O5S
- 평균 분자량
- 450.5 g/mol
이름 및 식별자
- 우선 이름
- benzyl 5-[4-(methoxycarbonyl)phenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- benzyl 5-(4-methoxycarbonylphenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 영어명
- 5-(4-Methoxycarbonyl-phenyl)-2,7-dimethyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid benzyl ester
- 분자식
- C24H22N2O5S
- 분자량
- 450.51
이름 및 동의어
836626-31-4benzyl 5-[4-(methoxycarbonyl)phenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateSTK881242AKOS005180641Z1213737783benzyl 5-(4-(methoxycarbonyl)phenyl)-2,7-dimethyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylatebenzyl 5-[4-(methoxycarbonyl)phenyl]-2,7-dimethyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5-(4-Methoxycarbonyl-phenyl)-2,7-dimethyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid benzyl ester5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-5-[4-(methoxycarbonyl)phenyl]-2,7-dimethyl-3-oxo-, phenylmethyl ester
데이터베이스 식별자
- CAS
836626-31-4
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 824
물리화학적 성질
- 끓는 점
- 586.4 · 586.4±60.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.93 · -1.93±0.70(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
PRINCETON[email protected]
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