SMILES:
CC(C)NC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCN43)CC2)cc1Molecular Processing
Molecular formula
C25H32N6O2
Molecular weight
448.57
Exact mass
448.2587
XLogP
2.46
TPSA
80.81
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
129.77
Supplementary Information
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