SMILES:
CC1CCC(N(CCCSc2ccccc2F)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1Molecular Processing
Molecular formula
C24H32FN3O3S3
Molecular weight
525.74
Exact mass
525.159
XLogP
6.83
TPSA
82.53
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
138.57
Supplementary Information
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