CC(=O)N1CCN(C(=O)C2(C#N)Nc3cc(C)c(-c4ccccc4)c(N4CC[C@H](N(C)C)C4)c3O2)CC1
SMILES: CC(=O)N1CCN(C(=O)C2(C#N)Nc3cc(C)c(-c4ccccc4)c(N4CC[C@H](N(C)C)C4)c3O2)CC1

Molecular Processing

Molecular formula
C28H34N6O3
Molecular weight
502.62
Exact mass
502.2692
XLogP
2.52
TPSA
92.15
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
142.35

Supplementary Information

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