名称: 7-amino-2-benzhydryloxycarbonyl-8-oxo-3-(2-tosyloxy-vinyl)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene
SMILES:
Cc1ccc(S(=O)(=O)OC=CC2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)C(N)C3SC2)cc1Molecular Processing
Molecular formula
C29H26N2O6S2
Molecular weight
562.67
Exact mass
562.1232
XLogP
4.04
TPSA
116
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.172
Molar refractivity
147.5
Supplementary Information
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