SMILES:
O=C(Cc1ccc(CNCc2ccccn2)cc1)N[C@@H](CCCNC1CCCc2cccnc21)C(=O)OMolecular Processing
Molecular formula
C29H35N5O3
Molecular weight
501.63
Exact mass
501.274
XLogP
3.33
TPSA
116.24
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
141.65
Supplementary Information
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