C=C(C)[C@@H]1CC[C@]2(NC(=O)CN3CCN(CC)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
SMILES: C=C(C)[C@@H]1CC[C@]2(NC(=O)CN3CCN(CC)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Molecular Processing

Molecular formula
C44H65N3O3
Molecular weight
684.02
Exact mass
683.5026
XLogP
8.54
TPSA
72.88
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
50
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
202.72

Supplementary Information

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