SMILES:
Clc1cc(N2CCC3(CC2)OCCO3)nc(N2CCN(Cc3ccccc3)CC2)n1Molecular Processing
Molecular formula
C22H28ClN5O2
Molecular weight
429.95
Exact mass
429.1932
XLogP
2.8
TPSA
53.96
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
117.06
Supplementary Information
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