SMILES:
CCCCc1nc2c(N)nc3cccnc3c2n1CCCCNC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C22H32N6O2
Molecular weight
412.54
Exact mass
412.2587
XLogP
4.21
TPSA
107.95
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
119.32
Supplementary Information
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