SMILES:
O=C(Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncn1)Nc1c(Cl)cccc1ClMolecular Processing
Molecular formula
C21H20Cl2N6O2
Molecular weight
459.34
Exact mass
458.1025
XLogP
5.01
TPSA
91.41
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
123.89
Supplementary Information
Obteniendo detalles…
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