COc1cc(Cl)ccc1C(C)(C)CC(O)(CNc1cccc2nc(C(N)=O)ccc12)C(F)(F)F
SMILES: COc1cc(Cl)ccc1C(C)(C)CC(O)(CNc1cccc2nc(C(N)=O)ccc12)C(F)(F)F

Molecular Processing

Molecular formula
C24H25ClF3N3O3
Molecular weight
495.93
Exact mass
495.1537
XLogP
5.07
TPSA
97.47
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
125.4

Supplementary Information

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