Nombre: 2,2,2-trichloroethyl α-[3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-α-(1-methanesulfonyloxyethylidene)acetate
SMILES:
CC(OS(C)(=O)=O)=C(C(=O)OCC(Cl)(Cl)Cl)N1C(=O)C2N=C(Cc3ccccc3)SC21Molecular Processing
Molecular formula
C18H17Cl3N2O6S2
Molecular weight
527.84
Exact mass
525.9594
XLogP
3.03
TPSA
102.34
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
119.47
Supplementary Information
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