기본 정보
- CAS
673443-87-3- 표준 SMILES
Cc1c(O)nc(SC2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)[nH]c1=O- InChIKey
KCGMDBWYBHBFKX-UHFFFAOYSA-N- 분자식
- C15H11Cl2N3O4S
- 평균 분자량
- 400.2 g/mol
- 단동위원소 질량
- 398.9847324
이름 및 식별자
- 우선 이름
- 1-(3,5-Dichlorophenyl)-3-[(4,6-dihydroxy-5-methyl-2-pyrimidinyl)thio]-2,5-pyrrolidinedione
- IUPAC
- 1-(3,5-dichlorophenyl)-3-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
- 영어명
- 1-(3,5-dichlorophenyl)-3-[(4,6-dihydroxy-5-methyl-2-pyrimidinyl)thio]-2,5-pyrrolidinedione
- 분자식
- C15H11Cl2N3O4S
- 분자량
- 400.24
이름 및 동의어
1-(3,5-dichlorophenyl)-3-[(4,6-dihydroxy-5-methyl-2-pyrimidinyl)thio]-2,5-pyrrolidinedione673443-87-31-(3,5-dichlorophenyl)-3-[(4,6-dihydroxy-5-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione1-(3,5-dichlorophenyl)-3-((4,6-dihydroxy-5-methylpyrimidin-2-yl)thio)pyrrolidine-2,5-dione1-(3,5-dichlorophenyl)-3-[(4,6-dihydroxy-5-methylpyrimidin-2-yl)thio]pyrrolidine-2,5-dione1-(3,5-dichlorophenyl)-3-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dioneMLS001178989CHEMBL2138690HMS2795G23STK137251STL046154AKOS002231122
이름 더 보기
2,5-Pyrrolidinedione, 1-(3,5-dichlorophenyl)-3-[(1,6-dihydro-4-hydroxy-5-methyl-6-oxo-2-pyrimidinyl)thio]-
AKOS005699197AKOS016302295SMR000476497ST50106821AJ-292/422848501-(3,5-dichlorophenyl)-3-(4,6-dihydroxy-5-methylpyrimidin-2-ylthio)azolidine-2 ,5-dione1-(3,5-dichlorophenyl)-3-[(4-hydroxy-5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 686
실험 및 물리화학적 성질
Solubility>60 [ug/mL] (The mean of the results at pH 7.4)
화학 및 산업
공급사4 곳
관련 반응
0건
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