SMILES:
NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2C(=O)O)CC1Molecular Processing
Molecular formula
C20H26ClN5O2
Molecular weight
403.91
Exact mass
403.1775
XLogP
3.62
TPSA
113.16
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
110.76
Supplementary Information
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