SMILES:
O=C(O)CSc1cnc(NC(=O)N(CC2CCCC2)c2ccc(F)c(F)c2F)s1Molecular Processing
Molecular formula
C18H18F3N3O3S2
Molecular weight
445.49
Exact mass
445.0742
XLogP
4.97
TPSA
82.53
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
105.11
Supplementary Information
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