SMILES:
CCc1nnc(NC(=O)C23CCC(NCC(=O)N4CC(F)CC4C#N)(CC2)CC3)s1Molecular Processing
Molecular formula
C20H27FN6O2S
Molecular weight
434.54
Exact mass
434.19
XLogP
2.18
TPSA
111.01
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
109.41
Supplementary Information
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