이름: tert-Butyl (4-{(2R,3R)-1-(4-chlorophenyl)-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(Cl)cc2)cc1Molecular Processing
Molecular formula
C26H24ClN3O6S2
Molecular weight
574.08
Exact mass
573.0795
XLogP
6.26
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
147.59
Supplementary Information
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