CCN(CC)CCCC1C(=O)C2=NC(c3ccc(Cl)cc3)=NC2=C2C=NC(C)(C)C(=O)C21.Cl.Cl
SMILES: CCN(CC)CCCC1C(=O)C2=NC(c3ccc(Cl)cc3)=NC2=C2C=NC(C)(C)C(=O)C21.Cl.Cl

Molecular Processing

Molecular formula
C25H31Cl3N4O2
Molecular weight
525.91
Exact mass
524.1513
XLogP
5.01
TPSA
74.46
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.48
Molar refractivity
143.53

Supplementary Information

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