SMILES:
CC1(C)N=CC2=C3N=C(Cc4ccccc4)N=C3C(=O)C(CCN3CCOCC3)C2C1=O.Cl.ClMolecular Processing
Molecular formula
C25H30Cl2N4O3
Molecular weight
505.45
Exact mass
504.1695
XLogP
3.15
TPSA
83.69
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
1
Saturated rings
1
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.48
Molar refractivity
137.98
Supplementary Information
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