Nom: sodium 7β-[2-(2-aminothiazol-4-yl)acetamido]-3-acetoacetoxymethyl-ceph-3-em-4-carboxylate
SMILES:
CC(=O)CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.[Na+]Molecular Processing
Molecular formula
C17H17N4NaO7S2
Molecular weight
476.47
Exact mass
476.0436
XLogP
-4.8
TPSA
171.82
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.412
Molar refractivity
103.54
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→