SMILES:
CNC(=O)c1c(-c2ccc(C=O)cc2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12Molecular Processing
Molecular formula
C19H17BrN2O5S
Molecular weight
465.33
Exact mass
464.0042
XLogP
3.43
TPSA
96.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
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
0.158
Molar refractivity
111.37
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→