SMILES:
O=C(c1ccccn1)N(Cc1ccc(CNCc2ccccn2)cc1)C1CCCc2cccnc21Molecular Processing
Molecular formula
C29H29N5O
Molecular weight
463.59
Exact mass
463.2372
XLogP
4.88
TPSA
71.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
135.25
Supplementary Information
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