Name: 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-[6-(2-nitro-phenylamino)-pyrimidin-4-yl]-1-pyridin-3-ylmethyl-urea
SMILES:
COc1cc(OC)c(Cl)c(NC(=O)N(Cc2cccnc2)c2cc(Nc3ccccc3[N+](=O)[O-])ncn2)c1ClMolecular Processing
Molecular formula
C25H21Cl2N7O5
Molecular weight
570.39
Exact mass
569.0981
XLogP
6.09
TPSA
144.64
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
147.42
Supplementary Information
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Involved in 2 reactions→