الاسم: 5-chloro-N-(2,4-dimethoxybenzyl)-2-fluoro-4-{2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]-4-(trifluoromethyl)phenoxy}-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide
SMILES:
COc1ccc(CN(c2nncs2)S(=O)(=O)c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3-c3cn(C4CCCCO4)nc3[N+](=O)[O-])cc2F)c(OC)c1Molecular Processing
Molecular formula
C32H27ClF4N6O8S2
Molecular weight
799.18
Exact mass
798.0956
XLogP
8.03
TPSA
161.04
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
53
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
21
Covalent units
1
Fraction Csp3
0.281
Molar refractivity
182.47
Supplementary Information
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