SMILES:
N=C(N)NCc1ccc(C(=O)N[C@@H](CCCCNCc2ccccn2)C(=O)O)cc1Molecular Processing
Molecular formula
C21H28N6O3
Molecular weight
412.49
Exact mass
412.2223
XLogP
1.21
TPSA
153.22
H-bond donors
6
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
113.88
Supplementary Information
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