이름: 4-[2-(1-Azetidin-3-yl-1H-pyrazol-5-yl)-4-chlorophenoxy]-2,5-difluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide trifluoroacetate salt
SMILES:
O=C(O)C(F)(F)F.O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnn2C2CNC2)cc1FMolecular Processing
Molecular formula
C22H16ClF5N6O5S2
Molecular weight
638.98
Exact mass
638.0232
XLogP
4.7
TPSA
148.33
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
2
Fraction Csp3
0.182
Molar refractivity
135.42
Supplementary Information
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