SMILES:
NCC1(c2cc(NC(=O)n3ccc4cc(Oc5ncnc6c5CNC6)ccc43)no2)CC1Molecular Processing
Molecular formula
C22H21N7O3
Molecular weight
431.46
Exact mass
431.1706
XLogP
2.89
TPSA
133.12
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
32
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
115.47
Supplementary Information
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