SMILES:
Cc1cc(-c2ccn(C[C@H](C)NC(=O)c3cc(-c4cnn(C)c4)on3)n2)ccc1C#NMolecular Processing
Molecular formula
C22H21N7O2
Molecular weight
415.46
Exact mass
415.1757
XLogP
2.94
TPSA
114.56
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
112.75
Supplementary Information
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