SMILES:
Cc1cc2nc(-c3cccc(Br)c3)sc2c(-c2ccc(Cl)cc2)c1[C@@H](CO)OC(C)(C)CMolecular Processing
Molecular formula
C26H25BrClNO2S
Molecular weight
530.92
Exact mass
529.0478
XLogP
8.2
TPSA
42.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
138.6
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→