Name: p-nitrobenzyl α-[4-methoxymethylthio-3-phenoxyacetamido-2-oxo-azetidin-1-yl]-α-(1-hydroxyethylidene)-acetate
SMILES:
COCSC1C(NC(=O)COc2ccccc2)C(=O)N1C(C(=O)OCc1ccc([N+](=O)[O-])cc1)=C(C)OMolecular Processing
Molecular formula
C24H25N3O9S
Molecular weight
531.54
Exact mass
531.1312
XLogP
2.5
TPSA
157.54
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
132.19
Supplementary Information
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