Nombre: benzhydryl 7-[2-(2-tritylaminothiazol-4-yl)-2-difluoromethoxyiminoacetamido]-3-chloromethyl-3-cephem-4-carboxylate
SMILES:
O=C(NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12)C(=NOC(F)F)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Molecular Processing
Molecular formula
C46H36ClF2N5O5S2
Molecular weight
876.41
Exact mass
875.1814
XLogP
8.72
TPSA
122.22
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
15
Heavy atoms
61
Rings
8
Aromatic rings
6
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.152
Molar refractivity
232.16
Supplementary Information
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