Name: benzyl 3-toluenesulfonyloxy-1-azabicyclo[3.2.0]hept-2-en-7-one-2-carboxylate
SMILES:
Cc1ccccc1S(=O)(=O)OC1=C(C(=O)OCc2ccccc2)N2C(=O)CC2C1Molecular Processing
Molecular formula
C21H19NO6S
Molecular weight
413.45
Exact mass
413.0933
XLogP
2.66
TPSA
89.98
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
102.58
Supplementary Information
Details werden geladen…
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