Name: methyl α-[4-mercapto-3-phthalimido-2-oxoazetidin-1-yl]-α-(1-hydroxyethylidene)acetate
SMILES:
COC(=O)C(=C(C)O)N1C(=O)C(N2C(=O)c3ccccc3C2=O)C1SMolecular Processing
Molecular formula
C16H14N2O6S
Molecular weight
362.36
Exact mass
362.0573
XLogP
0.71
TPSA
104.22
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
87.69
Supplementary Information
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