SMILES:
COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1Molecular Processing
Molecular formula
C22H20N6O4
Molecular weight
432.44
Exact mass
432.1546
XLogP
3.11
TPSA
114.86
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
114.34
Supplementary Information
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