Nom: t-butyl 7-benzamido-2-bromo-3-bromomethyl-3-cephem-4-carboxylate 1-oxide
SMILES:
CC(C)(C)OC(=O)C1=C(CBr)C(Br)S(=O)[C@@H]2C(NC(=O)c3ccccc3)C(=O)N12Molecular Processing
Molecular formula
C19H20Br2N2O5S
Molecular weight
548.25
Exact mass
545.946
XLogP
2.43
TPSA
92.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
115.85
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→