SMILES:
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(NCCCn3ccnc3)ncc2c1=OMolecular Processing
Molecular formula
C24H25N7O3
Molecular weight
459.51
Exact mass
459.2019
XLogP
2.26
TPSA
115.96
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
126.97
Supplementary Information
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