Name: (S)-ethyl 2-(2-bromo-7-(4-chlorophenyl)-5-methylbenzo[d]thiazol-6-yl)-2-tert-butoxyacetate
SMILES:
CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(Br)sc2c1-c1ccc(Cl)cc1Molecular Processing
Molecular formula
C22H23BrClNO3S
Molecular weight
496.85
Exact mass
495.0271
XLogP
7.11
TPSA
48.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
122.72
Supplementary Information
Details werden geladen…
An 54 Reaktionen beteiligt→