SMILES:
CC(C)[C@]1(C(=O)N2CC=C(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C25H34F3N3O3
Molecular weight
481.56
Exact mass
481.2552
XLogP
5.44
TPSA
71.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
34
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.64
Molar refractivity
122.69
Supplementary Information
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