SMILES:
Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)cc3c2ccn3C(C)C)c(=O)[nH]1Molecular Processing
Molecular formula
C30H36N6O2
Molecular weight
512.66
Exact mass
512.29
XLogP
4.27
TPSA
86.26
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
152.97
Supplementary Information
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