O=C(c1ccc(-c2cnco2)cc1)N(C1CC1)C1CCN(c2nc(-c3cccnc3)no2)CC1
SMILES: O=C(c1ccc(-c2cnco2)cc1)N(C1CC1)C1CCN(c2nc(-c3cccnc3)no2)CC1

Molecular Processing

Molecular formula
C25H24N6O3
Molecular weight
456.51
Exact mass
456.191
XLogP
4.06
TPSA
101.39
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
34
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
123.89

Supplementary Information

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