C=C(C)[C@@H]1CC[C@]2(NC(=O)CN3CCC(F)(F)C3)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)CN3CCC(F)(F)C3)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
C42H58F2N2O3
Molecular weight
676.93
Exact mass
676.4416
XLogP
9.25
TPSA
69.64
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
49
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
190.17

Supplementary Information

Récupération des détails…

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