SMILES:
NCc1cccc2ccn(CC(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)c12Molecular Processing
Molecular formula
C25H31N5O
Molecular weight
417.56
Exact mass
417.2529
XLogP
3.4
TPSA
67.39
H-bond donors
1
H-bond acceptors
4
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
0.44
Molar refractivity
123.76
Supplementary Information
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