SMILES:
O=C(COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1)N[C@@H]1CCNC1Molecular Processing
Molecular formula
C27H25N7O2
Molecular weight
479.54
Exact mass
479.207
XLogP
3.77
TPSA
116.85
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
36
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
139.26
Supplementary Information
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