SMILES:
COC[C@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccccc1Molecular Processing
Molecular formula
C20H21N7O2
Molecular weight
391.44
Exact mass
391.1757
XLogP
2.87
TPSA
109.75
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
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
0.2
Molar refractivity
109.3
Supplementary Information
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