SMILES:
Cc1ccsc1-c1cn(CCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=O.ClMolecular Processing
Molecular formula
C25H27ClF3N3O2S
Molecular weight
526.02
Exact mass
525.1465
XLogP
5.07
TPSA
58.1
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.44
Molar refractivity
133.52
Supplementary Information
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