SMILES:
O=C(N[C@@H](CCCNC1CCCc2cccnc21)C(=O)O)c1ccc(CNCc2ccccn2)o1Molecular Processing
Molecular formula
C26H31N5O4
Molecular weight
477.57
Exact mass
477.2376
XLogP
2.99
TPSA
129.38
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
129.53
Supplementary Information
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