COc1cc(-c2ccc(N3CCN(C4CCC4)CC3)nn2)ccc1NC(C)=O.Cl.Cl
SMILES: COc1cc(-c2ccc(N3CCN(C4CCC4)CC3)nn2)ccc1NC(C)=O.Cl.Cl

Molecular Processing

Molecular formula
C21H29Cl2N5O2
Molecular weight
454.4
Exact mass
453.1698
XLogP
3.63
TPSA
70.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.476
Molar refractivity
124.24

Supplementary Information

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