SMILES:
COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1NC(=O)OCc1cccnc1.ClMolecular Processing
Molecular formula
C25H27ClN6O4
Molecular weight
510.98
Exact mass
510.1782
XLogP
4.61
TPSA
126.41
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.28
Molar refractivity
138.31
Supplementary Information
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