CC(C)N1CCN(c2cnc(-c3ccc(OCC(=O)N(C)C)cc3)cn2)CC1.Cl.Cl
SMILES: CC(C)N1CCN(c2cnc(-c3ccc(OCC(=O)N(C)C)cc3)cn2)CC1.Cl.Cl

Molecular Processing

Molecular formula
C21H31Cl2N5O2
Molecular weight
456.42
Exact mass
455.1855
XLogP
2.98
TPSA
61.8
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.476
Molar refractivity
125.08

Supplementary Information

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