SMILES:
CC(=O)NC1CCN(c2cc(NC(=O)C3CC3c3ccncc3)nc3cc(C)nn23)CC1Molecular Processing
Molecular formula
C23H27N7O2
Molecular weight
433.52
Exact mass
433.2226
XLogP
2.28
TPSA
104.52
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
120.49
Supplementary Information
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