SMILES:
Cl.Cl.O=C(Nc1ccc2c(c1)CCC2)N1CCNCC1COc1cccnc1Molecular Processing
Molecular formula
C20H26Cl2N4O2
Molecular weight
425.36
Exact mass
424.1433
XLogP
3.3
TPSA
66.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.4
Molar refractivity
115.08
Supplementary Information
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