COc1cc2nc(N3CCC(N4C(=O)CC5(CCCC5)CC4=O)CC3)nc(N)c2cc1OC.Cl
SMILES: COc1cc2nc(N3CCC(N4C(=O)CC5(CCCC5)CC4=O)CC3)nc(N)c2cc1OC.Cl

Molecular Processing

Molecular formula
C24H32ClN5O4
Molecular weight
490
Exact mass
489.2143
XLogP
3.33
TPSA
110.88
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.583
Molar refractivity
131.53

Supplementary Information

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