COc1ccc(CNc2ncc(C)c(NCC(=O)N(C)C3CCN(CC4CC4)CC3)n2)cc1
SMILES: COc1ccc(CNc2ncc(C)c(NCC(=O)N(C)C3CCN(CC4CC4)CC3)n2)cc1

Molecular Processing

Molecular formula
C25H36N6O2
Molecular weight
452.6
Exact mass
452.29
XLogP
3.15
TPSA
82.62
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
130.54

Supplementary Information

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