기본 정보
- CAS
252916-76-0- 표준 SMILES
O=[N+]([O-])c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1- InChIKey
GUMBZKISKUIHJB-UHFFFAOYSA-N- 분자식
- C20H16Cl2N8O2
- 평균 분자량
- 471.3 g/mol
이름 및 식별자
- 우선 이름
- Chir-98023
- IUPAC
- N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
- 영어명
- CHIR-98023
- 분자식
- C20H16Cl2N8O2
- 분자량
- 471.3
이름 및 동의어
CHIR-98023252916-76-0CHIR-837UNII-CMQ1L0E91YCMQ1L0E91Y1,2-Ethanediamine, N-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl)-N'-(5-nitro-2-pyridinyl)-CT-980231,2-Ethanediamine, N1-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl)-N2-(5-nitro-2-pyridinyl)-RefChem:125217CHEMBL461262N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamineN1-(4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl)-N2-(5-nitropyridin-2-yl)ethane-1,2-diamine
이름 더 보기
1,2-Ethanediamine, N1-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl]-N2-(5-nitro-2-pyridinyl)-
GUMBZKISKUIHJB-UHFFFAOYSA-N[4-(2,4-dichlorophenyl)-5-imidazol -2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol -2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl})amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl](2-[(5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(5-nitro(2-pyridyl})amino]ethyl}amineorb1697833SCHEMBL4391839
데이터베이스 식별자
- CAS
252916-76-0- PubChem CID
- 9847557
- ChEMBL
CHEMBL461262- UNII
- CMQ1L0E91Y
- Nikkaji
- J2.436.863G
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 615
물리화학적 성질
- 끓는 점
- 790.6 · 790.6±70.0 °C(Predicted)
- 밀도
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.98 · 10.98±0.10(Predicted)
화학 및 산업
공급사4 곳
北京百奥创新科技有限公司15522676233 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
관련 반응
137건
화합물 노트
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