SMILES:
CCCc1cnc(N2CCC(c3ccc(COc4ccc(-n5cnnn5)cc4)nc3)CC2)nc1Molecular Processing
Molecular formula
C25H28N8O
Molecular weight
456.55
Exact mass
456.2386
XLogP
3.76
TPSA
94.74
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
127.94
Supplementary Information
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