SMILES:
COc1cc(-c2nnc3n2CCCC3(O)c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1Molecular Processing
Molecular formula
C23H20Cl2N4O3
Molecular weight
471.34
Exact mass
470.0912
XLogP
5.25
TPSA
86.2
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
120.94
Supplementary Information
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Involved in 2 reactions→