名称: benzyl 3-(2-acetamidoethylsulphinyl)-3-chloro-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILES:
CC(=O)NCCS(=O)C1(Cl)CC2CC(=O)N2C1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C18H21ClN2O5S
Molecular weight
412.9
Exact mass
412.086
XLogP
0.92
TPSA
92.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
100.17
Supplementary Information
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