SMILES:
O=S(=O)(Nc1ccccc1OC1CCN(c2nc3ccc(Br)cc3s2)CC1)c1ccccn1Molecular Processing
Molecular formula
C23H21BrN4O3S2
Molecular weight
545.48
Exact mass
544.0238
XLogP
5.3
TPSA
84.42
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
134.67
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→