SMILES:
CCSc1nc2cc(C(F)(F)F)ccc2c(N(C)C)c1C(=O)NCc1cccc(F)c1Molecular Processing
Molecular formula
C22H21F4N3OS
Molecular weight
451.49
Exact mass
451.1341
XLogP
5.5
TPSA
45.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
115.04
Supplementary Information
Details werden geladen…
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