SMILES:
CC(=O)Nc1nc2cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)ccc2n1CMolecular Processing
Molecular formula
C28H31N5O
Molecular weight
453.59
Exact mass
453.2529
XLogP
4.44
TPSA
53.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
136.59
Supplementary Information
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