SMILES:
CSC1NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1Molecular Processing
Molecular formula
C20H15ClF3N3OS2
Molecular weight
469.94
Exact mass
469.0297
XLogP
5.61
TPSA
46.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
116.3
Supplementary Information
Details werden geladen…
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