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

Molecular Processing

Molecular formula
C22H30ClN5O4
Molecular weight
463.97
Exact mass
463.1986
XLogP
2.8
TPSA
110.88
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.545
Molar refractivity
124.41

Supplementary Information

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