SMILES:
C=C(C)[C@@H]1CC[C@]2(NC(=O)Cn3ccc4ccccc43)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]12Molecular Processing
Molecular formula
C46H58N2O3
Molecular weight
686.98
Exact mass
686.4447
XLogP
10.56
TPSA
71.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
51
Rings
8
Aromatic rings
3
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
206.11
Supplementary Information
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