Name: tert-Butyl (4-{(2R,3R)-1-(4-fluorophenyl)-3-[(3-nitropyridin-2-yl)dithio]-4-oxoazetidin-2-yl}phenoxy)acetate
SMILES:
CC(C)(C)OC(=O)COc1ccc([C@@H]2[C@@H](SSc3ncccc3[N+](=O)[O-])C(=O)N2c2ccc(F)cc2)cc1Molecular Processing
Molecular formula
C26H24FN3O6S2
Molecular weight
557.63
Exact mass
557.1091
XLogP
5.75
TPSA
111.87
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
142.54
Supplementary Information
Details werden geladen…
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