Nom: N'-[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-N-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILES:
COC1=C(C=CC(=N1)NCCNC2=NC=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=NC=CN4)[N+](=O)[O-]Molecular Processing
Molecular formula
C21H18Cl2N8O3
Molecular weight
501.33
Exact mass
500.0879
XLogP
4.68
TPSA
143.78
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
129.49
Supplementary Information
InChIKey: WHEGVYLTBGGQAK-UHFFFAOYSA-N
Synonymes
SCHEMBL4398418WHEGVYLTBGGQAK-UHFFFAOYSA-N[4-(2,4-dichlorophenyl)-5-imidazol -2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy -5-nitro(2-pyridyl))amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl)) amino]-ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl)) amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))-amino]ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))amino]-ethyl}amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))amino]ethyl }amine[4-(2,4-dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl))amino]ethyl}amine
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