SMILES:
CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3CNC(C)=O)nc2N1C1CCCC1Molecular Processing
Molecular formula
C22H28N6O2
Molecular weight
408.51
Exact mass
408.2274
XLogP
2.68
TPSA
91.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
115.01
Supplementary Information
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