Name: N-{4-[4-(3-bromo-4-fluorophenyl)-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl}-4-[(1,1-dioxidothiomorpholin-4-yl)methyl]-benzamide trifluoroacetate
SMILES:
O=C(Nc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)c1ccc(CN2CCS(=O)(=O)CC2)cc1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C24H19BrF4N6O8S
Molecular weight
707.41
Exact mass
706.0105
XLogP
2.89
TPSA
190.73
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
20
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
145.07
Supplementary Information
Details werden geladen…
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