CCNC(=O)N1CCN(c2ccc(NC(=O)c3cc(=O)c4cc(OC)cc(N5CCN(C)CC5)c4o3)cc2)CC1
SMILES: CCNC(=O)N1CCN(c2ccc(NC(=O)c3cc(=O)c4cc(OC)cc(N5CCN(C)CC5)c4o3)cc2)CC1

Molecular Processing

Molecular formula
C29H36N6O5
Molecular weight
548.64
Exact mass
548.2747
XLogP
2.66
TPSA
110.6
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
156

Supplementary Information

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