SMILES:
C=C(C)[C@@H]1CC[C@]2(NC(=O)C(=O)Nc3nccs3)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
C41H53N3O4S
Molecular weight
683.96
Exact mass
683.3757
XLogP
9
TPSA
108.39
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
49
Rings
7
Aromatic rings
2
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.61
Molar refractivity
194.91
Supplementary Information
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