2-[2-({2-[(6-Amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1,3-dione
기본 정보
- 표준 SMILES
Nc1nc(NCCNc2ncc(N3C(=O)c4ccccc4C3=O)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]- InChIKey
FCNCAXCTVOSKPD-UHFFFAOYSA-N- 분자식
- C25H18Cl2N8O4
- 평균 분자량
- 565.4 g/mol
이름 및 식별자
- 우선 이름
- 2-[2-({2-[(6-Amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1,3-dione
- IUPAC
- 2-[2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethylamino]-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindole-1,3-dione
이름 및 동의어
SCHEMBL4393595SCHEMBL7200774FCNCAXCTVOSKPD-UHFFFAOYSA-N2-[2-({2-[(6-amino-5 -nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1,3-dione2-[2-({2-[(6-amino-5-nitro (2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1,3-dione2-[2-({2-[(6-amino-5-nitro(2-pyridyl))amino]ethyl }amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1,3-dione2-[2-({2-[(6-amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl ]isoindoline-1,3-dione2-[2-({2-[(6-amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1 ,3-dione2-[2-({2-[(6-amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1,3-dione2-[2-({2-[(6-amino-5nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1,3-dione
데이터베이스 식별자
- PubChem CID
- 22142871
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 888
관련 반응
70건
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