기본 정보
- CAS
155104-16-8- 표준 SMILES
COC(=O)c1ccc(-n2c(CSC(C)C(=O)O)nc3ccc(Br)cc3c2=O)cc1O- InChIKey
BSEYJOSNSXHVGH-UHFFFAOYSA-N- 분자식
- C20H17BrN2O6S
- 평균 분자량
- 493.3 g/mol
- 단동위원소 질량
- 491.99907
이름 및 식별자
- 우선 이름
- Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl ester
- IUPAC
- 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
- 영어명
- 2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acid
- 분자식
- C20H17BrN2O6S
- 분자량
- 493.33
이름 및 동의어
155104-16-86-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinoneBenzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl esterRefChem:3274522-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acidDTXSID509351362-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic a2-[({6-Bromo-3-[3-hydroxy-4-(methoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]propanoic acid2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic acidBenzoic acid, 4-[6-bromo-2-[[(1-carboxyethyl)thio]methyl]-4-oxo-3(4H)-quinazolinyl]-2-hydroxy-, 1-methyl ester
데이터베이스 식별자
- CAS
155104-16-8- PubChem CID
- 3074074
- DTXSID
DTXSID50935136
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 719
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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