SMILES:
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCN)c1Molecular Processing
Molecular formula
C17H20N4O2
Molecular weight
312.37
Exact mass
312.1586
XLogP
0.97
TPSA
74.95
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
91.65
Supplementary Information
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