SMILES:
CCc1ccc(C2CC(c3nc(N)no3)CN(C(=O)N3CCC(O)CC3)C2)cc1Molecular Processing
Molecular formula
C21H29N5O3
Molecular weight
399.5
Exact mass
399.227
XLogP
2.36
TPSA
108.72
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
108.41
Supplementary Information
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