Nombre: 2,2,2-trichloroethyl α-[3-benzyl-7-oxo-2,6-diaza-4-thiabicyclo[3,2,0]hept-2-en-6-yl]-α-(1-hydroxyethylidene)-acetate
SMILES:
CC(O)=C(C(=O)OCC(Cl)(Cl)Cl)N1C(=O)C2N=C(Cc3ccccc3)SC21Molecular Processing
Molecular formula
C17H15Cl3N2O4S
Molecular weight
449.74
Exact mass
447.9818
XLogP
3.61
TPSA
79.2
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
106.17
Supplementary Information
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