SMILES:
CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](N)CO)s1Molecular Processing
Molecular formula
C23H30F3N3O4S
Molecular weight
501.57
Exact mass
501.1909
XLogP
3.48
TPSA
99.07
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
121.88
Supplementary Information
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