Name: t-Butyl 3-p-fluorobenzyl-7-triphenylmethylamino-3-cephem-4-carboxylate
SMILES:
CC(C)(C)OC(=O)C1=C(Cc2ccc(F)cc2)CS[C@@H]2C(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)N12Molecular Processing
Molecular formula
C37H35FN2O3S
Molecular weight
606.76
Exact mass
606.2352
XLogP
6.83
TPSA
58.64
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
44
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.243
Molar refractivity
172.2
Supplementary Information
Details werden geladen…
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