SMILES:
CC(C)(C)N(Cc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1)C(=O)[O-]Molecular Processing
Molecular formula
C25H24N5O3-
Molecular weight
442.5
Exact mass
442.1885
XLogP
3.88
TPSA
114.04
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
124.18
Supplementary Information
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