SMILES:
COc1ccc(Nc2nc(NC3CCCCCC3)nc(OC(C)C)n2)cc1ClMolecular Processing
Molecular formula
C20H28ClN5O2
Molecular weight
405.93
Exact mass
405.1932
XLogP
5.2
TPSA
81.19
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
28
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
0.55
Molar refractivity
111.99
Supplementary Information
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