SMILES:
COc1cccc(C=Cc2nc3scc(C)n3c(=O)c2-c2ccc(OC(F)(F)F)cc2)c1OCC1CC1Molecular Processing
Molecular formula
C27H23F3N2O4S
Molecular weight
528.55
Exact mass
528.1331
XLogP
6.6
TPSA
62.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
136.34
Supplementary Information
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