SMILES:
O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(n1)CC1(C2)C(=O)Nc2ncccc21Molecular Processing
Molecular formula
C28H21N7O3
Molecular weight
503.52
Exact mass
503.1706
XLogP
2.6
TPSA
123.8
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
38
Rings
7
Aromatic rings
5
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
140.15
Supplementary Information
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