الاسم: 2-[4-(benzthiazol-2-yldithio)-3-phenoxyacetamido-2-oxoazetidin-1-yl]-3-methoxy-isocrotonic acid chloride
SMILES:
CO/C(C)=C(/C(=O)Cl)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2s1Molecular Processing
Molecular formula
C23H20ClN3O5S3
Molecular weight
550.08
Exact mass
549.0254
XLogP
4.41
TPSA
97.83
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
138.14
Supplementary Information
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