SMILES:
COc1cc(Cc2cnc(NCOC3CCCCC3)nc2N)cc(OC)c1OCMolecular Processing
Molecular formula
C21H30N4O4
Molecular weight
402.5
Exact mass
402.2267
XLogP
3.39
TPSA
100.75
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
111.8
Supplementary Information
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