CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(O)cc(Oc3ccc(C#N)cc3)c2)CC1
SMILES: CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(O)cc(Oc3ccc(C#N)cc3)c2)CC1

Molecular Processing

Molecular formula
C26H31N3O5
Molecular weight
465.55
Exact mass
465.2264
XLogP
4.82
TPSA
111.89
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
126.82

Supplementary Information

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