SMILES:
N#CC1CCN(c2cccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1Molecular Processing
Molecular formula
C25H27N5O
Molecular weight
413.53
Exact mass
413.2216
XLogP
4.42
TPSA
65.28
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
122.39
Supplementary Information
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