Name: 2-benzhydryloxycarbonyl-7-t-butoxycarbonylamino-3-(2-chlorovinyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-5-oxide
SMILES:
CC(C)(C)OC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C=CCl)CS(=O)C12Molecular Processing
Molecular formula
C27H27ClN2O6S
Molecular weight
543.04
Exact mass
542.1278
XLogP
4.15
TPSA
102.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
139.64
Supplementary Information
Details werden geladen…
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