SMILES:
CC(COc1ccnc(O)n1)CN1CCN(c2cc(C3CCC3)nc(C(C)(C)C)n2)CC1Molecular Processing
Molecular formula
C24H36N6O2
Molecular weight
440.59
Exact mass
440.29
XLogP
3.37
TPSA
87.5
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
124.33
Supplementary Information
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