Name: (3S,4S)-1-carboxymethyl-4-[(1R)-1-(p-chlorophenylthiocarbonyl)ethyl]-3-[(1R)-1-hydroxyethyl]-2-azetidinone
SMILES:
C[C@@H](O)[C@H]1C(=O)N(CC(=O)O)[C@@H]1[C@@H](C)C(=S)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C16H18ClNO4S
Molecular weight
355.84
Exact mass
355.0645
XLogP
1.99
TPSA
77.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
90.62
Supplementary Information
Details werden geladen…
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