C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]
CAS: 252916-76-0
Name: N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Molecular Processing

Molecular formula
C20H16Cl2N8O2
Molecular weight
471.31
Exact mass
470.0773
XLogP
4.67
TPSA
134.55
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
122.94

Supplementary Information

InChIKey: GUMBZKISKUIHJB-UHFFFAOYSA-N
Synonyms
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-diamineGUMBZKISKUIHJB-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}amineorb1697833SCHEMBL4391839SCHEMBL7853403SCHEMBL29357223SCHEMBL29381876GLXC-07682BDBM50293305AKOS040751149CT-98923HY-126125CS-0090594T30884
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