CN1CCN(c2ccc(Nc3cc(-c4cccc(N5Cc6cc(C(C)(C)C)ccc6C5=O)c4CO)cn(C)c3=O)nn2)CC1
SMILES: CN1CCN(c2ccc(Nc3cc(-c4cccc(N5Cc6cc(C(C)(C)C)ccc6C5=O)c4CO)cn(C)c3=O)nn2)CC1

Molecular Processing

Molecular formula
C34H39N7O3
Molecular weight
593.73
Exact mass
593.3114
XLogP
4.29
TPSA
106.83
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
44
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
173.72

Supplementary Information

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