名称: 4-[5-amino-1-(2,6-difluorobenzoyl)-1H-[1,2,4]triazol-3-ylamino]-benzenesulfonamide
SMILES:
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1FMolecular Processing
Molecular formula
C15H12F2N6O3S
Molecular weight
394.36
Exact mass
394.066
XLogP
1.22
TPSA
145.99
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0
Molar refractivity
91.62
Supplementary Information
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