SMILES:
CC(=O)Nc1cccc(NC(=O)C(C#N)C(=O)c2nn(-c3ccccc3)c3c2Cc2ccccc2-3)c1Molecular Processing
Molecular formula
C28H21N5O3
Molecular weight
475.51
Exact mass
475.1644
XLogP
4.36
TPSA
116.88
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.107
Molar refractivity
134.61
Supplementary Information
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