SMILES:
CCOc1nc(NC(=O)Cc2cccc(OC)c2)cc(N)c1C#NMolecular Processing
Molecular formula
C17H18N4O3
Molecular weight
326.36
Exact mass
326.1379
XLogP
2.12
TPSA
110.26
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
89.86
Supplementary Information
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